4-bromo-2-({4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Chemical Structure Depiction of
4-bromo-2-({4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
4-bromo-2-({4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-3569 |
| Compound Name: | 4-bromo-2-({4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1) |
| Molecular Weight: | 511.37 |
| Molecular Formula: | C20 H25 Br N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)Cc2cc(ccc2O)[Br])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8845 |
| logD: | 1.9132 |
| logSw: | -2.7316 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.32 |
| InChI Key: | JCIASQYLUWYITH-UHFFFAOYSA-N |