ethyl 4-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-7026 |
| Compound Name: | ethyl 4-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 346.33 |
| Molecular Formula: | C14 H13 F3 N2 O3 S |
| Smiles: | CCOC(CC(CSc1c(C#N)c(cc(C)n1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5519 |
| logD: | 2.5519 |
| logSw: | -2.6638 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.762 |
| InChI Key: | CDTJPFSMFGBOIT-UHFFFAOYSA-N |