rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1395 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 602.13 |
| Molecular Formula: | C19 H12 Br2 F6 N4 O2 |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3cccc(c3)C(F)(F)F)=O)n2)[Br])N[C@H]1c1ccc(o1)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.1331 |
| logD: | 6.1274 |
| logSw: | -6.138 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.078 |
| InChI Key: | MJWHRUGZOBMUBO-ZYHUDNBSSA-N |