4-{[2-(3-methylbenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-{[2-(3-methylbenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
4-{[2-(3-methylbenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8006-3583 |
| Compound Name: | 4-{[2-(3-methylbenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 448.39 |
| Molecular Formula: | C22 H16 N4 O7 |
| Smiles: | Cc1cccc(c1)C(N/N=C/c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0499 |
| logD: | 4.0215 |
| logSw: | -4.1573 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.695 |
| InChI Key: | PVAGWMVNLHQHAQ-UHFFFAOYSA-N |