2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 4296-0304 |
| Compound Name: | 2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 507.99 |
| Molecular Formula: | C26 H22 Cl N3 O4 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7312 |
| logD: | 1.9929 |
| logSw: | -5.0051 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.965 |
| InChI Key: | WUXFUKGEEVNAAH-DEOSSOPVSA-N |