5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8019-5527 |
| Compound Name: | 5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 388.17 |
| Molecular Formula: | C14 H14 Br N O7 |
| Smiles: | COc1c(CC2CC(C(O)=O)=NO2)c(c2c(c1OC)OCO2)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3002 |
| logD: | -1.4708 |
| logSw: | -2.0216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.401 |
| InChI Key: | DWHDLXILBPXSJK-LURJTMIESA-N |