1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitrophenyl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | Y032-1626 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C20 H21 N3 O5 |
| Smiles: | C(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4944 |
| logD: | 2.1766 |
| logSw: | -2.7771 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.397 |
| InChI Key: | HKSWAOXHSXLKLP-UHFFFAOYSA-N |