2-{[(2-oxocyclohexyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-oxocyclohexyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[(2-oxocyclohexyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-7816 |
| Compound Name: | 2-{[(2-oxocyclohexyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C18 H15 F3 N2 O S2 |
| Smiles: | C1CCC(C(C1)CSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3421 |
| logD: | 5.3421 |
| logSw: | -5.6392 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.957 |
| InChI Key: | UTWVPFCMPGNRJZ-LLVKDONJSA-N |