1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8013-4055 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C21 H31 N5 O3 |
| Smiles: | Cc1c(c(C)n(CC(N2CCN(CC2)C23CC4CC(CC(C4)C3)C2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5413 |
| logD: | 2.501 |
| logSw: | -2.2182 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.645 |
| InChI Key: | CXSZQZVEAQEGAC-UHFFFAOYSA-N |