3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]propoxy}-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]propoxy}-4,8-dimethyl-2H-1-benzopyran-2-one
3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]propoxy}-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2259-4071 |
| Compound Name: | 3-benzyl-7-{2-[2-(2,4-dinitrophenyl)hydrazinylidene]propoxy}-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 516.51 |
| Molecular Formula: | C27 H24 N4 O7 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCC(/C)=N/Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6622 |
| logD: | 6.6564 |
| logSw: | -5.7156 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.429 |
| InChI Key: | PZWAMJSYWXJHGW-UHFFFAOYSA-N |