N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | J093-0257 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 471.39 |
| Molecular Formula: | C22 H16 F3 N5 O4 |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)n2c(n1)nc(C(NCc1ccc3c(c1)OCO3)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.9813 |
| logD: | 3.9813 |
| logSw: | -4.2392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.854 |
| InChI Key: | VCGPODCSXKMFKK-UHFFFAOYSA-N |