N-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}phenyl)-4-nitrobenzamide
N-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 2066-0312 |
| Compound Name: | N-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 432.39 |
| Molecular Formula: | C22 H16 N4 O6 |
| Smiles: | C1Oc2ccc(/C=N/NC(c3ccccc3NC(c3ccc(cc3)[N+]([O-])=O)=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.5662 |
| logD: | 3.5571 |
| logSw: | -3.9316 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.445 |
| InChI Key: | KLGWRONDAIRYIU-UHFFFAOYSA-N |