1-[(5-bromo-2-methoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(5-bromo-2-methoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
1-[(5-bromo-2-methoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0729 |
| Compound Name: | 1-[(5-bromo-2-methoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1) |
| Molecular Weight: | 511.43 |
| Molecular Formula: | C20 H25 Br N2 O S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)Cc1ccc(cc1)SC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4407 |
| logD: | 4.2429 |
| logSw: | -4.3404 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 15.1418 |
| InChI Key: | GCXQDRXJYFCVHG-UHFFFAOYSA-N |