3-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
3-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8003-5066 |
| Compound Name: | 3-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 479.36 |
| Molecular Formula: | C21 H13 N5 O9 |
| Smiles: | C(\c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6602 |
| logD: | 3.654 |
| logSw: | -4.0926 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.077 |
| InChI Key: | MCDQSMPUEHAZRB-UHFFFAOYSA-N |