16285260
  -OEChem-05082406222D

 35 37  0     0  0  0  0  0  0999 V2000
    2.0000   -2.5352    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.0526    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5352    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.0526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1452    4.7262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519    3.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5464    3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1342    4.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7275    5.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    5.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.9275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5997    3.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986    3.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    4.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0919    5.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4808    6.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  2  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 24  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 18  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16285260

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
434

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MQBEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAAB8AAAHwYQAAAACA7l1i69l5LIFAisATV3dAKC+KlxL3kJ2DR+b5iOZuPlu5+XOCjs0RPY6CeQwAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-chloro-4-fluoro-phenoxy)-N-[4-(2-pyridyl)thiazol-2-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-chloro-4-fluorophenoxy)-N-[4-(2-pyridinyl)-2-thiazolyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-chloro-4-fluorophenoxy)-<I>N</I>-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-chloro-4-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-chloranyl-4-fluoranyl-phenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-chloro-4-fluoro-phenoxy)-N-[4-(2-pyridyl)thiazol-2-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11ClFN3O2S/c17-11-7-10(18)4-5-14(11)23-8-15(22)21-16-20-13(9-24-16)12-3-1-2-6-19-12/h1-7,9H,8H2,(H,20,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
JMHHGCDXBKQDBP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
363.0244536

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11ClFN3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
363.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)COC3=C(C=C(C=C3)F)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)COC3=C(C=C(C=C3)F)Cl

> <PUBCHEM_CACTVS_TPSA>
92.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
363.0244536

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
12  18  8
13  16  8
13  17  8
16  19  8
17  20  8
18  22  8
19  21  8
2  11  8
2  15  8
20  21  8
22  23  8
23  24  8
7  11  8
7  9  8
8  12  8
8  24  8
9  15  8

$$$$