N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4552-5542 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.43 |
| Molecular Formula: | C25 H21 Cl2 N3 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.373 |
| logD: | 2.6346 |
| logSw: | -6.1091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.849 |
| InChI Key: | NYFMPDGNIDLECG-QHCPKHFHSA-N |