[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](4-ethylpiperazin-1-yl)methanone
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | E558-0163 |
| Compound Name: | [1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C20 H29 N5 O3 |
| Smiles: | CCN1CCN(CC1)C(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6839 |
| logD: | 2.5061 |
| logSw: | -2.7654 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.1 |
| InChI Key: | YSQIIYVKVVWRQY-UHFFFAOYSA-N |