60451502
  -OEChem-05102405452D

 43 45  0     0  0  0  0  0  0999 V2000
    6.1488   -1.0712    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808   -5.6100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -3.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9623    0.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    4.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610   -0.2622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398   -2.0222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    3.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488   -3.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488   -2.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828   -4.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148   -4.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488   -1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -2.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    0.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    2.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828   -5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148   -5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488   -5.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507   -4.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    5.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0518   -3.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0475   -2.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    0.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4033    2.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458   -5.4200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444   -0.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    2.1001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    3.7494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488   -6.2300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407   -3.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138   -4.4200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3607   -4.6470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    5.9744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711    6.1116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340    5.2456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  1  0  0  0  0
  3 26  1  0  0  0  0
  4 17  2  0  0  0  0
  5 25  2  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 33  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 25  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 23  2  0  0  0  0
 13 28  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 29  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 24  2  0  0  0  0
 20 32  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 24 36  1  0  0  0  0
 25 27  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60451502

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
530

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQBAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwQQAAAADAyF3gqz15LIFAisAyVydACC+KllKjkJiDU2bNiMJrLkvZuEMShu1RPI6aeYyaCeCAAAAAAIAAAQAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-acetamido-N-[4-(5-fluoro-2-methoxy-phenyl)thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-acetamido-N-[4-(5-fluoro-2-methoxyphenyl)-2-thiazolyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-acetamido-<I>N</I>-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
4-acetamido-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-acetamido-N-[4-(5-fluoranyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-acetamido-N-[4-(5-fluoro-2-methoxy-phenyl)thiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16FN3O3S/c1-11(24)21-14-6-3-12(4-7-14)18(25)23-19-22-16(10-27-19)15-9-13(20)5-8-17(15)26-2/h3-10H,1-2H3,(H,21,24)(H,22,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
QMQYTVFHBQFGLS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
385.08964072

> <PUBCHEM_MOLECULAR_FORMULA>
C19H16FN3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
385.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)OC

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.08964072

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  14  8
1  16  8
10  16  8
11  20  8
12  18  8
12  19  8
13  23  8
15  21  8
15  22  8
18  21  8
19  22  8
20  24  8
23  24  8
7  10  8
7  14  8
9  11  8
9  13  8

$$$$