1-(2H-1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine--oxalic acid (1/1)
1-(2H-1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-1198 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine--oxalic acid (1/1) |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C17 H19 N O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(c(CNCc2ccc3c(c2)OCO3)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9381 |
| logD: | -1.0645 |
| logSw: | -3.1977 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.294 |
| InChI Key: | WNRBNUFQXLAHRP-UHFFFAOYSA-N |