N-(4-acetamidophenyl)-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
N-(4-acetamidophenyl)-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 4552-5450 |
| Compound Name: | N-(4-acetamidophenyl)-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 578.69 |
| Molecular Formula: | C33 H30 N4 O4 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)OCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5864 |
| logD: | 1.8481 |
| logSw: | -4.6966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.036 |
| InChI Key: | DCLCFNQRKMLFQM-HKBQPEDESA-N |