1-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1)
1-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-1542 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1) |
| Molecular Weight: | 377.41 |
| Molecular Formula: | C16 H17 N O2 S |
| Salt: | HOOCCOOH |
| Smiles: | CSc1ccc(CNCc2ccc3c(c2)OCO3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.492 |
| logD: | 1.2923 |
| logSw: | -3.741 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1197 |
| InChI Key: | XGAZJZDLJSKGCA-UHFFFAOYSA-N |