rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(2,5-dichlorophenyl)-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-(2,5-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(2,5-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1419 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(2,5-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 603.02 |
| Molecular Formula: | C18 H11 Br2 Cl2 F3 N4 O2 |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3cc(ccc3[Cl])[Cl])=O)n2)[Br])N[C@H]1c1ccc(o1)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.1456 |
| logD: | 6.0316 |
| logSw: | -6.3463 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.38 |
| InChI Key: | DDKCYYZQYSUNDX-ZYHUDNBSSA-N |