rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0566 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 555.29 |
| Molecular Formula: | C19 H13 Br F6 N4 O2 S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3ccc(cc3)OC(F)(F)F)=O)n2)[Br])N[C@H]1c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.8608 |
| logD: | 5.8607 |
| logSw: | -5.8333 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.107 |
| InChI Key: | SEYCVQYPFZUNCN-DGCLKSJQSA-N |