1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitro-1H-pyrazol-1-yl)propan-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)propan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | 8018-0754 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C18 H21 N5 O5 |
| Smiles: | CC(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0127 |
| logD: | 0.7364 |
| logSw: | -2.1527 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.506 |
| InChI Key: | DTIHCFXULUEVIL-ZDUSSCGKSA-N |