ethyl 4-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-2631 |
| Compound Name: | ethyl 4-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C17 H13 F3 N2 O3 S2 |
| Smiles: | CCOC(CC(CSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2378 |
| logD: | 4.2377 |
| logSw: | -4.4231 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.703 |
| InChI Key: | OUWIEMQPMBFADD-UHFFFAOYSA-N |