1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(3-methoxyphenyl)methyl]methanamine
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-[(3-methoxyphenyl)methyl]methanamine
1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(3-methoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | 8019-4421 |
| Compound Name: | 1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(3-methoxyphenyl)methyl]methanamine |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C22 H26 N2 O6 |
| Salt: | HCl |
| Smiles: | COc1cccc(CNCC2CC(Cc3cc(c4c(c3OC)OCO4)OC)ON=2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2229 |
| logD: | 2.0882 |
| logSw: | -3.2837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.119 |
| InChI Key: | VQWAYZFXANBQPW-SFHVURJKSA-N |