N-(2-ethylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
N-(2-ethylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0710 |
| Compound Name: | N-(2-ethylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 341.35 |
| Molecular Formula: | C15 H14 F3 N3 O S |
| Smiles: | CCc1ccccc1NC(c1cnc(nc1C(F)(F)F)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8717 |
| logD: | 3.7051 |
| logSw: | -3.8236 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.217 |
| InChI Key: | XSHPKXDNQBMSSS-UHFFFAOYSA-N |