N-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | J093-0210 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 457.37 |
| Molecular Formula: | C21 H14 F3 N5 O4 |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)n2c(n1)nc(C(Nc1ccc3c(c1)OCO3)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.2285 |
| logD: | 4.2282 |
| logSw: | -4.418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.532 |
| InChI Key: | XLUJJLRRHZJKQL-UHFFFAOYSA-N |