5-(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
5-(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
5-(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8019-5346 |
| Compound Name: | 5-(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 388.17 |
| Molecular Formula: | C14 H14 Br N O7 |
| Smiles: | CC1C(c2c(c3c(c(c2[Br])OC)OCO3)OC)ON=C1C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3634 |
| logD: | -2.2825 |
| logSw: | -2.0228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.971 |
| InChI Key: | IIDPJJRUCYYKGE-UHFFFAOYSA-N |