ethyl 3-{[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
ethyl 3-{[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J093-0034 |
| Compound Name: | ethyl 3-{[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C22 H15 F4 N5 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(c1nc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2241 |
| logD: | 5.224 |
| logSw: | -5.1084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.626 |
| InChI Key: | HSXOCPAXBIWMSL-UHFFFAOYSA-N |