N-(3-chloro-2-methylphenyl)-2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8011-7496 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.06 |
| Molecular Formula: | C25 H24 Cl N3 O2 S2 |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.089 |
| logD: | 1.8074 |
| logSw: | -5.3466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.868 |
| InChI Key: | TZSUYVSIVKYUOJ-JOCHJYFZSA-N |