{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0501 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 459.41 |
| Molecular Formula: | C19 H19 N3 O5 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2151 |
| logD: | 2.0235 |
| logSw: | -2.7813 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.924 |
| InChI Key: | SPRPZHTWOVZZSR-UHFFFAOYSA-N |