N-(4-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide
N-(4-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2262-4802 |
| Compound Name: | N-(4-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 432.39 |
| Molecular Formula: | C22 H16 N4 O6 |
| Smiles: | C1Oc2ccc(/C=N/NC(c3ccc(cc3)NC(c3cccc(c3)[N+]([O-])=O)=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.8049 |
| logD: | 3.6805 |
| logSw: | -4.2656 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.142 |
| InChI Key: | CXPNZKAEBIEEDJ-UHFFFAOYSA-N |