1-[(3,4-dimethoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3,4-dimethoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
1-[(3,4-dimethoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0626 |
| Compound Name: | 1-[(3,4-dimethoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1) |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C21 H28 N2 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)Cc2ccc(cc2)SC)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2356 |
| logD: | 2.2643 |
| logSw: | -3.3352 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 22.7723 |
| InChI Key: | NAHZFABZFDPIME-UHFFFAOYSA-N |