N-({5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--hydrogen chloride (1/1)
N-({5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-1865 |
| Compound Name: | N-({5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 494.97 |
| Molecular Formula: | C24 H30 N2 O7 |
| Salt: | HCl |
| Smiles: | COc1ccc(CCNCC2CC(Cc3cc4c(c(c3OC)OC)OCO4)ON=2)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7168 |
| logD: | 2.5424 |
| logSw: | -3.1007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.08 |
| InChI Key: | HYYDNWAJNXXMGA-SFHVURJKSA-N |