1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | 8017-0364 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C19 H23 N5 O5 |
| Smiles: | C(CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6821 |
| logD: | 0.3379 |
| logSw: | -1.7602 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.152 |
| InChI Key: | GNMPGFLRLVMBCI-UHFFFAOYSA-N |