3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethoxy}-4-methyl-2H-1-benzopyran-2-one
3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 1311-2249 |
Compound Name: | 3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethoxy}-4-methyl-2H-1-benzopyran-2-one |
Molecular Weight: | 564.55 |
Molecular Formula: | C31 H24 N4 O7 |
Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(\c1ccccc1)=N/Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 7.4215 |
logD: | 7.4183 |
logSw: | -5.7433 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 114.617 |
InChI Key: | WEBCMHREZDKNPA-UHFFFAOYSA-N |