3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methylphenyl)ethoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methylphenyl)ethoxy}-4-methyl-2H-1-benzopyran-2-one
3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methylphenyl)ethoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1311-2246 |
| Compound Name: | 3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methylphenyl)ethoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 578.58 |
| Molecular Formula: | C32 H26 N4 O7 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(\c1ccc(C)cc1)=N/Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.9499 |
| logD: | 7.9467 |
| logSw: | -5.6967 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.617 |
| InChI Key: | SWMMUEYWRBYXCI-UHFFFAOYSA-N |