N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2-nitrobenzohydrazide
Chemical Structure Depiction of
N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2-nitrobenzohydrazide
N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2-nitrobenzohydrazide
Compound characteristics
| Compound ID: | 8019-6892 |
| Compound Name: | N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2-nitrobenzohydrazide |
| Molecular Weight: | 550.5 |
| Molecular Formula: | C27 H23 F N4 O8 |
| Smiles: | COc1c(CC2CC(c3ccc(cc3)F)=NO2)c(/C=N/NC(c2ccccc2[N+]([O-])=O)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9819 |
| logD: | 4.6478 |
| logSw: | -4.7067 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.117 |
| InChI Key: | PHECRGMCIUEREO-QGZVFWFLSA-N |