4-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
4-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8005-7009 |
| Compound Name: | 4-{[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate |
| Molecular Weight: | 447.4 |
| Molecular Formula: | C23 H17 N3 O7 |
| Smiles: | C1COc2cc(ccc2O1)C(N/N=C/c1ccc(cc1)OC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0513 |
| logD: | 3.0502 |
| logSw: | -3.5518 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.137 |
| InChI Key: | ILAWUGGTQHHZHD-UHFFFAOYSA-N |