5-(4-bromophenyl)-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-bromophenyl)-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y508-7464 |
| Compound Name: | 5-(4-bromophenyl)-N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 718.96 |
| Molecular Formula: | C32 H28 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: | MIXTURE OF STEREOISOMERS |
| logP: | 9.6453 |
| logD: | 9.6443 |
| logSw: | -6.9128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.994 |
| InChI Key: | RIYRKPLIAGOZBS-UHFFFAOYSA-N |