2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 4296-0404 |
| Compound Name: | 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 497.54 |
| Molecular Formula: | C26 H22 F3 N3 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3531 |
| logD: | 2.6148 |
| logSw: | -5.2217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.547 |
| InChI Key: | IHWRZIUKECRYJY-QHCPKHFHSA-N |