1-(3,5-dimethoxyphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(3,5-dimethoxyphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1)
1-(3,5-dimethoxyphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-1286 |
| Compound Name: | 1-(3,5-dimethoxyphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine--oxalic acid (1/1) |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C17 H21 N O2 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CNCc2ccc(cc2)SC)cc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8289 |
| logD: | -0.076 |
| logSw: | -4.1042 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.0918 |
| InChI Key: | QQQBKKSIWXTIBX-UHFFFAOYSA-N |