5-(4-methylphenyl)-N-[3-(methylsulfanyl)phenyl]-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(4-methylphenyl)-N-[3-(methylsulfanyl)phenyl]-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-methylphenyl)-N-[3-(methylsulfanyl)phenyl]-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | J093-0472 |
| Compound Name: | 5-(4-methylphenyl)-N-[3-(methylsulfanyl)phenyl]-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C21 H16 F3 N5 O S |
| Smiles: | Cc1ccc(cc1)c1cc(C(F)(F)F)n2c(n1)nc(C(Nc1cccc(c1)SC)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.2973 |
| logD: | 5.2973 |
| logSw: | -5.306 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.872 |
| InChI Key: | IKMLJONDDRWXTN-UHFFFAOYSA-N |