propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8009-9315 |
| Compound Name: | propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 422.42 |
| Molecular Formula: | C20 H17 F3 N2 O3 S |
| Smiles: | CC(C)OC(CC(CSc1c(C#N)c(cc(c2ccccc2)n1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8157 |
| logD: | 4.8157 |
| logSw: | -4.7572 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.363 |
| InChI Key: | PCPCKYJZLBJUEX-UHFFFAOYSA-N |