methyl 2-{[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 2-{[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J093-0438 |
| Compound Name: | methyl 2-{[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 455.39 |
| Molecular Formula: | C22 H16 F3 N5 O3 |
| Smiles: | Cc1ccc(cc1)c1cc(C(F)(F)F)n2c(n1)nc(C(Nc1ccccc1C(=O)OC)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.7592 |
| logD: | 4.6751 |
| logSw: | -4.5424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.348 |
| InChI Key: | YCUFBKWNCJZXHB-UHFFFAOYSA-N |