N-(3-chloro-2-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-2-methylphenyl)-2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4296-0296 |
| Compound Name: | N-(3-chloro-2-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(Nc1cccc(c1C)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.396 |
| logD: | 2.6577 |
| logSw: | -5.7763 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.059 |
| InChI Key: | DIMJDOLONFFQCO-VWLOTQADSA-N |