5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Chemical Structure Depiction of
5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,2-oxazole-3-carbohydrazide
5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Compound characteristics
| Compound ID: | 8019-7258 |
| Compound Name: | 5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,2-oxazole-3-carbohydrazide |
| Molecular Weight: | 558.31 |
| Molecular Formula: | C22 H19 Br F3 N3 O6 |
| Smiles: | COc1c(CC2CC(C(N/N=C\c3ccccc3C(F)(F)F)=O)=NO2)c(c(c2c1OCO2)OC)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1221 |
| logD: | 5.0034 |
| logSw: | -4.9915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.308 |
| InChI Key: | FHDBFHIPJWDGSK-LBPRGKRZSA-N |