tert-butyl {[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
tert-butyl {[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y508-1256 |
| Compound Name: | tert-butyl {[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C17 H15 F3 N2 O2 S2 |
| Smiles: | CC(C)(C)OC(CSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5752 |
| logD: | 5.5752 |
| logSw: | -5.4819 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.057 |
| InChI Key: | DSHUVGQLTIDTNV-UHFFFAOYSA-N |