4797684
  -OEChem-05102422402D

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    8.1667   -2.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5422    2.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
4797684

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgQQAAAADAzF3gayh5LIFAisAyVyVACC+KBhKjgIiLU+rJgNJrqk9RuEMCpk1hGqqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenylthiazol-4-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenyl-4-thiazolyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-phenylthiazol-4-yl)-N-veratryl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20N2O3S/c1-24-17-9-8-14(10-18(17)25-2)12-21-19(23)11-16-13-26-20(22-16)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
YUJXUWGPUJHRBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
368.11946368

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
368.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)CNC(=O)CC2=CSC(=N2)C3=CC=CC=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)CNC(=O)CC2=CSC(=N2)C3=CC=CC=C3)OC

> <PUBCHEM_CACTVS_TPSA>
88.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.11946368

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  17  8
1  19  8
10  14  8
12  19  8
13  16  8
14  15  8
15  16  8
18  20  8
18  21  8
20  22  8
21  23  8
22  24  8
23  24  8
6  12  8
6  17  8
8  10  8
8  13  8

$$$$