2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
Compound ID: | 8001-1452 |
Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
Molecular Weight: | 432.48 |
Molecular Formula: | C21 H15 F3 N2 O S2 |
Smiles: | Cc1ccc(C(CSc2c(C#N)c(cc(c3cccs3)n2)C(F)(F)F)=O)c(C)c1 |
Stereo: | ACHIRAL |
logP: | 6.6861 |
logD: | 6.6861 |
logSw: | -5.6358 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.764 |
InChI Key: | IXGPQHYEMXSDJS-UHFFFAOYSA-N |