405724
  -OEChem-05102422242D

 36 38  0     1  0  0  0  0  0999 V2000
    3.7320    4.1121    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4392    2.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0249    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392    2.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    3.1121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0249    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9392    1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9392    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4392    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    1.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049    3.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    1.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    3.8080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2492    1.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2492    3.8080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
  2 18  1  0  0  0  0
  3 10  2  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7 23  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
405724

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
460

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAGAAAAAAAAAAAAAABYAAAAAAAwYAAAAAAAAAABQAAAHgIYAAAADCvBmGQwwIJiAACIAiVSUACCAAAkBwAaqAEIZshIIDqBl5HEIQhglgCIyYcYiYCeDAAAAAAAAAAYAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-N-[(3R)-3-chloro-2-(4-chlorophenyl)-4-oxo-azetidin-1-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-N-[(3R)-3-chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-<I>N</I>-[(3<I>R</I>)-3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
4-amino-N-[(3R)-3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-N-[(3R)-3-chloranyl-2-(4-chlorophenyl)-4-oxidanylidene-azetidin-1-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-N-[(3R)-3-chloro-2-(4-chlorophenyl)-4-keto-azetidin-1-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13Cl2N3O2/c17-11-5-1-9(2-6-11)14-13(18)16(23)21(14)20-15(22)10-3-7-12(19)8-4-10/h1-8,13-14H,19H2,(H,20,22)/t13-,14?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YKDWSLZKAPVLDU-KWCCSABGSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
349.0384821

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13Cl2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
350.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2[C@H](C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
75.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
349.0384821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
9  1  6
11  12  8
11  13  8
12  15  8
13  16  8
15  18  8
16  18  8
17  19  8
17  20  8
19  21  8
20  22  8
21  23  8
22  23  8
8  11  3

$$$$