[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl][4-(diphenylmethyl)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-(diphenylmethyl)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-(diphenylmethyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | 3209-0568 |
| 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-(diphenylmethyl)piperazin-1-yl]methanone |
| Molecular Weight: | 630.53 |
| Molecular Formula: | C29 H27 Br F3 N5 O S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(N3CCN(CC3)C(c3ccccc3)c3ccccc3)=O)n2)[Br])N[C@H]1c1cccs1 |
| Stereo: | RELATIVE |
| logP: | 6.081 |
| logD: | 6.0794 |
| logSw: | -5.8976 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.289 |
| InChI Key: | XEFXRWJRZCATNN-FYYLOGMGSA-N |