2-{[2-(2H-1,3-benzodioxole-5-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxole-5-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
2-{[2-(2H-1,3-benzodioxole-5-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8002-8962 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxole-5-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate |
| Molecular Weight: | 433.38 |
| Molecular Formula: | C22 H15 N3 O7 |
| Smiles: | C1Oc2ccc(cc2O1)C(N/N=C/c1ccccc1OC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1728 |
| logD: | 4.1709 |
| logSw: | -4.5788 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.516 |
| InChI Key: | DANISSLDUYQSMB-UHFFFAOYSA-N |