2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 4552-5763 |
| Compound Name: | 2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | CCOc1ccccc1C1C(C#N)=C(NC2CCCC(C1=2)=O)SCC(Nc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0121 |
| logD: | 2.2737 |
| logSw: | -4.5327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.757 |
| InChI Key: | MPKKHWKIIHZPIO-VWLOTQADSA-N |