dimethyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | A0012909 |
| Compound Name: | dimethyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 542.43 |
| Molecular Formula: | C25 H17 F3 N4 O7 |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.821 |
| logD: | 4.651 |
| logSw: | -4.6397 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.254 |
| InChI Key: | FNNVSVGSTITRBC-UHFFFAOYSA-N |