N-(4-acetamidophenyl)-2-{[3-cyano-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-{[3-cyano-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(4-acetamidophenyl)-2-{[3-cyano-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4296-0312 |
| Compound Name: | N-(4-acetamidophenyl)-2-{[3-cyano-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)C1C(C#N)=C(NC2CCCC(C1=2)=O)SCC(Nc1ccc(cc1)NC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.541 |
| logD: | 0.8027 |
| logSw: | -3.8484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.933 |
| InChI Key: | PCSYEOWFOIVSDV-SANMLTNESA-N |