N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-5-(hydroxymethyl)-1,2-oxazole-3-carbohydrazide
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]-5-(hydroxymethyl)-1,2-oxazole-3-carbohydrazide
N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-5-(hydroxymethyl)-1,2-oxazole-3-carbohydrazide
Compound characteristics
| Compound ID: | 8019-6985 |
| 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]-5-(hydroxymethyl)-1,2-oxazole-3-carbohydrazide |
| Molecular Weight: | 526.48 |
| Molecular Formula: | C25 H23 F N4 O8 |
| Smiles: | COc1c(CC2CC(c3ccc(cc3)F)=NO2)c(/C=N/NC(c2cc(CO)on2)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.882 |
| logD: | 3.8818 |
| logSw: | -4.2381 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.129 |
| InChI Key: | CDEVGFWPOIJBOA-OAHLLOKOSA-N |