5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
Chemical Structure Depiction of
5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
Compound characteristics
| Compound ID: | 8019-6600 |
| Compound Name: | 5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole |
| Molecular Weight: | 450.28 |
| Molecular Formula: | C20 H20 Br N O6 |
| Smiles: | COc1ccc(cc1)C1CC(Cc2c(c3c(c(c2[Br])OC)OCO3)OC)ON=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7187 |
| logD: | 4.7187 |
| logSw: | -4.6051 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.265 |
| InChI Key: | NRNQJRODYBTXSE-ZDUSSCGKSA-N |