{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
{4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0487 |
| Compound Name: | {4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 475.45 |
| Molecular Formula: | C20 H23 N3 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(CN2CCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3696 |
| logD: | 2.0536 |
| logSw: | -2.6209 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.156 |
| InChI Key: | CYQWEGKIUNVDIM-UHFFFAOYSA-N |