4-{[2-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-{[2-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
4-{[2-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8004-0027 |
| Compound Name: | 4-{[2-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate |
| Molecular Weight: | 447.4 |
| Molecular Formula: | C23 H17 N3 O7 |
| Smiles: | C1C(C(N/N=C/c2ccc(cc2)OC(c2ccc(cc2)[N+]([O-])=O)=O)=O)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0016 |
| logD: | 3.9998 |
| logSw: | -4.4858 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.751 |
| InChI Key: | QLMVFBLISKDXHY-NRFANRHFSA-N |