3-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}propanoic acid
3-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | 6114-0249 |
| Compound Name: | 3-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 410.46 |
| Molecular Formula: | C20 H21 F3 N2 O2 S |
| Smiles: | C(CSc1c(C#N)c(cc(C23CC4CC(CC(C4)C3)C2)n1)C(F)(F)F)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.541 |
| logD: | 2.8582 |
| logSw: | -5.6722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.188 |
| InChI Key: | ZAAOKHBJDVPMLY-UHFFFAOYSA-N |