2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)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-(2-ethylphenyl)acetamide
2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | 4296-0881 |
| 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-(2-ethylphenyl)acetamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | CCc1ccccc1NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4234 |
| logD: | 1.6851 |
| logSw: | -4.2625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.965 |
| InChI Key: | UISBRRSHOFJLRB-VWLOTQADSA-N |