1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0785 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1) |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C20 H24 N2 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | CSc1ccc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5338 |
| logD: | 2.5625 |
| logSw: | -3.7321 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 24.6269 |
| InChI Key: | XLEWFGJGQHJFGJ-UHFFFAOYSA-N |