N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y508-0348 |
| Compound Name: | N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 534.45 |
| Molecular Formula: | C26 H17 F3 N6 O4 |
| Smiles: | Cc1cccc(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1nc2nc(cc(C(F)(F)F)n2n1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5779 |
| logD: | 6.5737 |
| logSw: | -5.7357 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.002 |
| InChI Key: | XOWJUICXGBHOGE-UHFFFAOYSA-N |