4-bromo-2-({4-[(2-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Chemical Structure Depiction of
4-bromo-2-({4-[(2-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
4-bromo-2-({4-[(2-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-3561 |
| Compound Name: | 4-bromo-2-({4-[(2-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1) |
| Molecular Weight: | 481.34 |
| Molecular Formula: | C19 H23 Br N2 O2 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccccc1CN1CCN(CC1)Cc1cc(ccc1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4176 |
| logD: | 3.2192 |
| logSw: | -3.2382 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.69 |
| InChI Key: | JBWBMQSYTWNWEO-UHFFFAOYSA-N |