N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4552-5900 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 508.04 |
| Molecular Formula: | C27 H26 Cl N3 O3 S |
| Smiles: | CCOc1ccccc1C1C(C#N)=C(NC2CCCC(C1=2)=O)SCC(Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9789 |
| logD: | 3.2406 |
| logSw: | -5.9833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.757 |
| InChI Key: | ZUCCMMXDSTXLAI-VWLOTQADSA-N |