2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Chemical Structure Depiction of
2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4262-0378 |
| Compound Name: | 2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1) |
| Molecular Weight: | 477.47 |
| Molecular Formula: | C20 H25 N3 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)Cc2ccc(cc2)[N+]([O-])=O)cc(c1O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8338 |
| logD: | -0.5371 |
| logSw: | -1.908 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.633 |
| InChI Key: | QYBSQGCHCHMSIZ-UHFFFAOYSA-N |