AC1MXR3P
2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: Oprea1_297488|Oprea1_827798|2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide|2-((3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide|2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide|2-{[3-cyano-4-(2-ethoxyphenyl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C28H29N3O3S |
|---|---|
| Molecular Weight | 487.19296 g/mol |
| LogP | 5.50312 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.19296 |
| Monoisotopic Mass | 487.19296 |
| Heavy Atoms | 35 |
| Complexity | 1272.4489 |
Chemical Identifiers
| CAS Number | 384357-81-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC(=C(C=C4)C)C)C#N |
Product Overview
AC1MXR3P (CAS 384357-81-7), with molecular formula C28H29N3O3S and molecular weight 487.19296 g/mol. IUPAC: 2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.