N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(4-methylphenyl)ethan-1-amine--hydrogen chloride (1/1)
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-(4-methylphenyl)ethan-1-amine--hydrogen chloride (1/1)
N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(4-methylphenyl)ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-4360 |
| Compound Name: | N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(4-methylphenyl)ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C23 H28 N2 O5 |
| Salt: | HCl |
| Smiles: | Cc1ccc(CCNCC2CC(Cc3cc(c4c(c3OC)OCO4)OC)ON=2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.377 |
| logD: | 3.098 |
| logSw: | -3.3899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.417 |
| InChI Key: | NXZXHNZWSKMPET-IBGZPJMESA-N |