N-(3-chlorophenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
N-(3-chlorophenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 4296-0766 |
| Compound Name: | N-(3-chlorophenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 517.96 |
| Molecular Formula: | C25 H19 Cl F3 N3 O2 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2)SCC(Nc2cccc(c2)[Cl])=O)c2ccccc2C(F)(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7467 |
| logD: | 3.0084 |
| logSw: | -5.9401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.547 |
| InChI Key: | ALAJJKAABXPETN-QFIPXVFZSA-N |