dimethyl 2-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | A0012796 |
| Compound Name: | dimethyl 2-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 532.86 |
| Molecular Formula: | C24 H16 Cl F3 N4 O5 |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6169 |
| logD: | 5.4469 |
| logSw: | -6.0042 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.139 |
| InChI Key: | LLZRRQXDQFOZHS-UHFFFAOYSA-N |