2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-5543 |
| Compound Name: | 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 411.47 |
| Molecular Formula: | C18 H16 F3 N3 O S2 |
| Smiles: | C1CCN(CC1)C(CSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7023 |
| logD: | 4.7023 |
| logSw: | -4.6115 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.91 |
| InChI Key: | UBQADNFPISMMSJ-UHFFFAOYSA-N |