2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)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-(3-methoxyphenyl)acetamide
2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 5542-0051 |
| 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-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 608.06 |
| Molecular Formula: | C27 H21 Cl F3 N3 O4 S2 |
| Smiles: | COc1cccc(c1)NC(CSC1=C(C#N)C(C(C(c2cccs2)=O)C(C(F)(F)F)(N1)O)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7832 |
| logD: | 5.7447 |
| logSw: | -5.5324 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.473 |
| InChI Key: | PBXUZQLZGBJTIX-UHFFFAOYSA-N |