1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitro-1H-pyrazol-1-yl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-0362 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C17 H19 N5 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Cn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.538 |
| logD: | 0.3464 |
| logSw: | -1.7888 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.174 |
| InChI Key: | JHZPYWXUZZTYQD-UHFFFAOYSA-N |