[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl][4-(4-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl][4-(4-fluorophenyl)piperazin-1-yl]methanone
[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl][4-(4-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | 3209-0569 |
| Compound Name: | [rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl][4-(4-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 558.39 |
| Molecular Formula: | C22 H20 Br F4 N5 O S |
| Smiles: | C1[C@@H](c2cccs2)Nc2c(c(C(N3CCN(CC3)c3ccc(cc3)F)=O)nn2[C@H]1C(F)(F)F)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6065 |
| logD: | 4.6065 |
| logSw: | -4.4109 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.988 |
| InChI Key: | FKXVDSVQZFEQJD-DOTOQJQBSA-N |