4-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
4-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate
4-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | 8007-0535 |
| Compound Name: | 4-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 433.38 |
| Molecular Formula: | C22 H15 N3 O7 |
| Smiles: | C1Oc2ccc(cc2O1)C(=O)Oc1ccc(\C=N/NC(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7916 |
| logD: | 3.7791 |
| logSw: | -4.2217 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.429 |
| InChI Key: | QRMUEXPJHJAXBF-UHFFFAOYSA-N |