N-(4-acetamidophenyl)-2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(4-acetamidophenyl)-2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4296-0870 |
| Compound Name: | N-(4-acetamidophenyl)-2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C27 H24 N4 O5 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1251 |
| logD: | 0.3868 |
| logSw: | -3.4608 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.924 |
| InChI Key: | VNPGISVTAMUGEI-VWLOTQADSA-N |