2-(2H-1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethan-1-amine--oxalic acid (1/1)
2-(2H-1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-4356 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 450.4 |
| Molecular Formula: | C18 H20 N2 O6 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CNCCc2ccc3c(c2)OCO3)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3349 |
| logD: | 0.3321 |
| logSw: | -2.793 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.303 |
| InChI Key: | QSFYVLINSJJVSC-UHFFFAOYSA-N |