{[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
{[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 6000-0396 |
| Compound Name: | {[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C19 H17 F3 N2 O3 S |
| Smiles: | CCCCOc1ccc(cc1)c1cc(c(C#N)c(n1)SCC(O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.3171 |
| logD: | 1.852 |
| logSw: | -5.2248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.572 |
| InChI Key: | WYMPXWBKIMANQJ-UHFFFAOYSA-N |