2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 5846-0013 |
| Compound Name: | 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 405.44 |
| Molecular Formula: | C20 H18 F3 N3 O S |
| Smiles: | C1CCN(CC1)C(CSc1c(C#N)c(cc(c2ccccc2)n1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9531 |
| logD: | 4.9531 |
| logSw: | -4.7973 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.891 |
| InChI Key: | MCYBHWSNIKXCQR-UHFFFAOYSA-N |