4-bromo-2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Chemical Structure Depiction of
4-bromo-2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
4-bromo-2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-3571 |
| Compound Name: | 4-bromo-2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1) |
| Molecular Weight: | 495.37 |
| Molecular Formula: | C20 H25 Br N2 O2 |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccc(CN2CCN(CC2)Cc2cc(ccc2O)[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6805 |
| logD: | 3.5663 |
| logSw: | -3.4586 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.1831 |
| InChI Key: | LLHNAELRCNNMMC-UHFFFAOYSA-N |