N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--oxalic acid (2/1)
Chemical Structure Depiction of
N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--oxalic acid (2/1)
N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--oxalic acid (2/1)
Compound characteristics
| Compound ID: | 8019-4361 |
| Compound Name: | N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--oxalic acid (2/1) |
| Molecular Weight: | 503.53 |
| Molecular Formula: | C24 H30 N2 O7 |
| Salt: | 0.5HOOCCOOH |
| Smiles: | COc1ccc(CCNCC2CC(Cc3cc(c4c(c3OC)OCO4)OC)ON=2)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4707 |
| logD: | 2.2963 |
| logSw: | -2.8844 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.677 |
| InChI Key: | GAAJKEBFGWVDNP-SFHVURJKSA-N |