2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 4296-0353 |
| Compound Name: | 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 473.52 |
| Molecular Formula: | C24 H22 F3 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(NC(=C1C#N)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2847 |
| logD: | 5.2292 |
| logSw: | -5.3188 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.065 |
| InChI Key: | BZYIENVRAAGUSA-LJQANCHMSA-N |