2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 4552-5753 |
| Compound Name: | 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6117 |
| logD: | 1.8734 |
| logSw: | -4.3614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.849 |
| InChI Key: | CZGIIMSEHNAQGG-VWLOTQADSA-N |