5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Chemical Structure Depiction of
5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Compound characteristics
| Compound ID: | 8019-5528 |
| Compound Name: | 5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-3-carbohydrazide |
| Molecular Weight: | 508.3 |
| Molecular Formula: | C21 H19 Br F N3 O6 |
| Smiles: | COc1c(CC2CC(C(N/N=C/c3ccccc3F)=O)=NO2)c(c2c(c1OC)OCO2)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5134 |
| logD: | 4.2776 |
| logSw: | -4.3758 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.308 |
| InChI Key: | PVQDIYSOPCYSBD-LBPRGKRZSA-N |