2-(benzylsulfanyl)-4-(2-chlorophenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(2-chlorophenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(2-chlorophenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-4385 |
| Compound Name: | 2-(benzylsulfanyl)-4-(2-chlorophenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 535.01 |
| Molecular Formula: | C25 H18 Cl F3 N2 O2 S2 |
| Smiles: | C(c1ccccc1)SC1=C(C#N)C(C(C(c2cccs2)=O)C(C(F)(F)F)(N1)O)c1ccccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0413 |
| logD: | 6.0179 |
| logSw: | -5.68 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.779 |
| InChI Key: | JDQCXFCAPNRVGF-UHFFFAOYSA-N |