4-bromo-2-({4-[(4-ethylphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Chemical Structure Depiction of
4-bromo-2-({4-[(4-ethylphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
4-bromo-2-({4-[(4-ethylphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-3572 |
| Compound Name: | 4-bromo-2-({4-[(4-ethylphenyl)methyl]piperazin-1-yl}methyl)phenol--oxalic acid (1/1) |
| Molecular Weight: | 479.37 |
| Molecular Formula: | C20 H25 Br N2 O |
| Salt: | HOOCCOOH |
| Smiles: | CCc1ccc(CN2CCN(CC2)Cc2cc(ccc2O)[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2421 |
| logD: | 3.7809 |
| logSw: | -3.686 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0595 |
| InChI Key: | QCCRBCNJDNFMEM-UHFFFAOYSA-N |