1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-9173 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 466.38 |
| Molecular Formula: | C20 H28 Br N5 O3 |
| Smiles: | Cc1c(c(nn1CC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0488 |
| logD: | 3.0085 |
| logSw: | -3.1176 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.602 |
| InChI Key: | MGXIPEDNGLURJP-UHFFFAOYSA-N |