AC1MPXUE
2-[[3-cyano-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: Oprea1_284493|Oprea1_709468|2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide|2-((4-(4-(benzyloxy)phenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide|2-[[3-cyano-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C33H31N3O3S |
|---|---|
| Molecular Weight | 549.2086 g/mol |
| LogP | 6.68342 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.2086 |
| Monoisotopic Mass | 549.2086 |
| Heavy Atoms | 40 |
| Complexity | 1535.3555 |
Chemical Identifiers
| CAS Number | 370855-97-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N)C |
Product Overview
AC1MPXUE (CAS 370855-97-3), with molecular formula C33H31N3O3S and molecular weight 549.2086 g/mol. IUPAC: 2-[[3-cyano-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
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