N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0663 |
| Compound Name: | N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 417.41 |
| Molecular Formula: | C20 H14 F3 N3 O2 S |
| Smiles: | CSc1ncc(C(Nc2ccccc2C(c2ccccc2)=O)=O)c(C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2383 |
| logD: | 2.7355 |
| logSw: | -4.3169 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.684 |
| InChI Key: | YZEQEHBKMPIRSE-UHFFFAOYSA-N |