5-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | J093-0283 |
| Compound Name: | 5-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C21 H16 F3 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)n2c(n1)nc(C(Nc1cccc(c1)SC)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.8563 |
| logD: | 4.8563 |
| logSw: | -4.6557 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.416 |
| InChI Key: | MSVXGVHLYZFBEF-UHFFFAOYSA-N |