1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(2-methoxyphenyl)methyl]methanamine--oxalic acid (2/1)
Chemical Structure Depiction of
1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(2-methoxyphenyl)methyl]methanamine--oxalic acid (2/1)
1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(2-methoxyphenyl)methyl]methanamine--oxalic acid (2/1)
Compound characteristics
| Compound ID: | 8019-4242 |
| Compound Name: | 1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(2-methoxyphenyl)methyl]methanamine--oxalic acid (2/1) |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C22 H26 N2 O6 |
| Salt: | 0.5HOOCCOOH |
| Smiles: | COc1ccccc1CNCC1CC(Cc2cc(c3c(c2OC)OCO3)OC)ON=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3123 |
| logD: | 3.1426 |
| logSw: | -3.4176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.206 |
| InChI Key: | JFLKZLVJTGKFGU-KRWDZBQOSA-N |