4-bromo-2-({4-[(4-fluorophenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Chemical Structure Depiction of
4-bromo-2-({4-[(4-fluorophenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
4-bromo-2-({4-[(4-fluorophenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-3574 |
| Compound Name: | 4-bromo-2-({4-[(4-fluorophenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1) |
| Molecular Weight: | 469.31 |
| Molecular Formula: | C18 H20 Br F N2 O |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1ccc(cc1)F)Cc1cc(ccc1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3406 |
| logD: | 3.2322 |
| logSw: | -2.8805 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0595 |
| InChI Key: | JRARTRMJEQCXOK-UHFFFAOYSA-N |