5-(4-bromophenyl)-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-bromophenyl)-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0791 |
| Compound Name: | 5-(4-bromophenyl)-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 714.93 |
| Molecular Formula: | C32 H24 Br Cl F3 N5 O4 |
| Smiles: | C1CCC(CC1)c1cc(ccc1Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Br])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 10.0944 |
| logD: | 10.0919 |
| logSw: | -6.847 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.625 |
| InChI Key: | PQTBDFVIRPEIRY-UHFFFAOYSA-N |