1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl}methanamine--hydrogen chloride (1/1)
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-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl}methanamine--hydrogen chloride (1/1)
1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl}methanamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-4355 |
| Compound Name: | 1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl}methanamine--hydrogen chloride (1/1) |
| Molecular Weight: | 517.97 |
| Molecular Formula: | C25 H27 N3 O7 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)c1cc(CNCC2CC(Cc3cc(c4c(c3OC)OCO4)OC)ON=2)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1197 |
| logD: | 4.0826 |
| logSw: | -4.2838 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.825 |
| InChI Key: | JRGLEKCRPGQTFC-IBGZPJMESA-N |