N-(3-acetylphenyl)-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-acetylphenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
N-(3-acetylphenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 4296-0442 |
| Compound Name: | N-(3-acetylphenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 525.55 |
| Molecular Formula: | C27 H22 F3 N3 O3 S |
| Smiles: | CC(c1cccc(c1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccccc1C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.734 |
| logD: | 1.9957 |
| logSw: | -4.576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.374 |
| InChI Key: | KECPTWVVBBPCFR-DEOSSOPVSA-N |