5-(4-bromophenyl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-bromophenyl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0805 |
| Compound Name: | 5-(4-bromophenyl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 654.44 |
| Molecular Formula: | C30 H23 Br F3 N5 O4 |
| Smiles: | CC(C)c1ccc(C)cc1Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 9.1582 |
| logD: | 9.1556 |
| logSw: | -5.6363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.705 |
| InChI Key: | ZQPPMGCBHGLUHB-UHFFFAOYSA-N |