methyl 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 1762-0196 |
| Compound Name: | methyl 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 474.83 |
| Molecular Formula: | C22 H14 Cl F3 N4 O3 |
| Smiles: | COC(c1ccccc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccccc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.402 |
| logD: | 5.077 |
| logSw: | -6.0279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.282 |
| InChI Key: | OKCOXLCXARPJPL-UHFFFAOYSA-N |