3-{[2-(4-nitrophenyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[2-(4-nitrophenyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
3-{[2-(4-nitrophenyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8002-1622 |
| Compound Name: | 3-{[2-(4-nitrophenyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 451.35 |
| Molecular Formula: | C20 H13 N5 O8 |
| Smiles: | C(\c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2108 |
| logD: | 4.2108 |
| logSw: | -4.543 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 141.898 |
| InChI Key: | PNPCCTKDFDCYFI-UHFFFAOYSA-N |