rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1021 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-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: | COc1ccc(CNC(c2c(c3N[C@H](C[C@@H](C(F)(F)F)n3n2)c2ccc(o2)[Br])[Br])=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6635 |
| logD: | 4.6635 |
| logSw: | -4.4176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.944 |
| InChI Key: | UGXUPJYHXZQLGN-TZMCWYRMSA-N |