4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol--oxalic acid (1/1)
Chemical Structure Depiction of
4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol--oxalic acid (1/1)
4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-3576 |
| Compound Name: | 4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol--oxalic acid (1/1) |
| Molecular Weight: | 497.41 |
| Molecular Formula: | C19 H23 Br N2 O S |
| Salt: | HOOCCOOH |
| Smiles: | CSc1ccc(CN2CCN(CC2)Cc2cc(ccc2O)[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0308 |
| logD: | 3.9224 |
| logSw: | -3.6142 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0595 |
| InChI Key: | VHLJHCKYFUWCHF-UHFFFAOYSA-N |