rel-(5R,7S)-5-(4-bromophenyl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-5-(4-bromophenyl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0992 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 658.47 |
| Molecular Formula: | C30 H27 Br F3 N5 O4 |
| Smiles: | CC(C)c1ccc(C)cc1Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 8.516 |
| logD: | 8.5127 |
| logSw: | -5.5363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.821 |
| InChI Key: | VUBNNDMDVBSIGO-BDYUSTAISA-N |