3-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoic acid
3-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | Y507-0697 |
| Compound Name: | 3-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 346.3 |
| Molecular Formula: | C14 H10 F4 N2 O2 S |
| Smiles: | C(CSc1nc(cc(C(F)(F)F)n1)c1ccc(cc1)F)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.669 |
| logD: | 0.9733 |
| logSw: | -4.0786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.644 |
| InChI Key: | DHRILOMJJCJGHF-UHFFFAOYSA-N |