rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-[3-(1-hydroxyethyl)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-[3-(1-hydroxyethyl)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-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1401 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 578.18 |
| Molecular Formula: | C20 H17 Br2 F3 N4 O3 |
| Smiles: | CC(c1cccc(c1)NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1ccc(o1)[Br])[Br])=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5852 |
| logD: | 4.5852 |
| logSw: | -4.3208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.088 |
| InChI Key: | LICGWAUPOOIQTC-NTVGDFDMSA-N |