octyl {[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
octyl {[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
octyl {[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8001-1185 |
| Compound Name: | octyl {[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H25 F3 N2 O2 S |
| Smiles: | CCCCCCCCOC(CSc1c(C#N)c(cc(c2ccccc2)n1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8113 |
| logD: | 7.8113 |
| logSw: | -5.7482 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.223 |
| InChI Key: | AXXOMWRWZKEGNN-UHFFFAOYSA-N |