methyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 1762-0231 |
| Compound Name: | methyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 519.28 |
| Molecular Formula: | C22 H14 Br F3 N4 O3 |
| Smiles: | COC(c1ccccc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccccc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4512 |
| logD: | 5.1262 |
| logSw: | -5.5101 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.282 |
| InChI Key: | UECUHJMISZQVFI-UHFFFAOYSA-N |