ethyl 3-{[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
ethyl 3-{[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J093-0428 |
| Compound Name: | ethyl 3-{[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 469.42 |
| Molecular Formula: | C23 H18 F3 N5 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(c1nc2nc(cc(C(F)(F)F)n2n1)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6184 |
| logD: | 5.6183 |
| logSw: | -5.3912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.626 |
| InChI Key: | PGEVSQLYDBAOPW-UHFFFAOYSA-N |