N-(4-fluorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
N-(4-fluorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0714 |
| Compound Name: | N-(4-fluorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 331.29 |
| Molecular Formula: | C13 H9 F4 N3 O S |
| Smiles: | CSc1ncc(C(Nc2ccc(cc2)F)=O)c(C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.203 |
| logD: | 1.5185 |
| logSw: | -3.6448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.915 |
| InChI Key: | KKKADFBXVSSZOH-UHFFFAOYSA-N |