2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
Compound ID: | 8001-1424 |
Compound Name: | 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
Molecular Weight: | 462.55 |
Molecular Formula: | C23 H21 F3 N2 O S2 |
Smiles: | C1C2CC3CC1CC(C2)(C3)C(CSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 7.3631 |
logD: | 7.3631 |
logSw: | -6.1414 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.797 |
InChI Key: | OCTDLCMVSWAPKI-UHFFFAOYSA-N |