2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | 5542-0050 |
| Compound Name: | 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 596.02 |
| Molecular Formula: | C26 H18 Cl F4 N3 O3 S2 |
| Smiles: | C(C(Nc1ccc(cc1)F)=O)SC1=C(C#N)C(C(C(c2cccs2)=O)C(C(F)(F)F)(N1)O)c1ccccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7458 |
| logD: | 5.7073 |
| logSw: | -5.5762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.929 |
| InChI Key: | CMFZMNNPSJUTDI-UHFFFAOYSA-N |