5-(2H-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 2774-1442 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 607.5 |
| Molecular Formula: | C29 H20 F3 N5 O7 |
| Smiles: | CCOc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0416 |
| logD: | 7.0391 |
| logSw: | -5.6161 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.857 |
| InChI Key: | HZQCLSRWFKEEKO-UHFFFAOYSA-N |