{4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
{4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3701-0358 |
| Compound Name: | {4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C20 H23 N3 O6 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)cc(c1O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.3087 |
| logD: | 0.0909 |
| logSw: | -2.0888 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.549 |
| InChI Key: | ZGJGMVFRKZQSAO-UHFFFAOYSA-N |