[4-(adamantan-1-yl)piperazin-1-yl][5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Chemical Structure Depiction of
[4-(adamantan-1-yl)piperazin-1-yl][5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
[4-(adamantan-1-yl)piperazin-1-yl][5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Compound characteristics
| Compound ID: | Y509-0820 |
| Compound Name: | [4-(adamantan-1-yl)piperazin-1-yl][5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone |
| Molecular Weight: | 626.95 |
| Molecular Formula: | C28 H32 Br Cl F3 N5 O |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(c1c(c2NC(CC(C(F)(F)F)n2n1)c1ccc(cc1)[Br])[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.9536 |
| logD: | 6.9128 |
| logSw: | -6.7652 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.661 |
| InChI Key: | FFKCDBDXHGVPGQ-UHFFFAOYSA-N |