1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[2-(1H-imidazol-1-yl)phenyl]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-{[2-(1H-imidazol-1-yl)phenyl]methyl}methanamine
1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[2-(1H-imidazol-1-yl)phenyl]methyl}methanamine
Compound characteristics
| Compound ID: | 8019-6198 |
| Compound Name: | 1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-{[2-(1H-imidazol-1-yl)phenyl]methyl}methanamine |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C24 H26 N4 O5 |
| Smiles: | COc1cc(CC2CC(CNCc3ccccc3n3ccnc3)=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7728 |
| logD: | 2.5427 |
| logSw: | -3.1596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79 |
| InChI Key: | JXUYQGQOFRBGCM-IBGZPJMESA-N |