rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-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)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1407 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 580.22 |
| Molecular Formula: | C19 H15 Br2 F3 N4 O2 S |
| Smiles: | CSc1ccccc1NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1ccc(o1)[Br])[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3436 |
| logD: | 5.3436 |
| logSw: | -5.3016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.38 |
| InChI Key: | UYMNOACRDOIKHW-ZWNOBZJWSA-N |