2-{[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 4552-4046 |
| Compound Name: | 2-{[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C26 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1C(C#N)=C(NC2CCCC(C1=2)=O)SCC(Nc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8177 |
| logD: | 2.0793 |
| logSw: | -4.5926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.547 |
| InChI Key: | YLBSAHZBGGPBMX-DEOSSOPVSA-N |