3-{3-[2-(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl}-4-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[2-(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl}-4-hydroxy-2H-1-benzopyran-2-one
3-{3-[2-(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl}-4-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0672-0436 |
| Compound Name: | 3-{3-[2-(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl}-4-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 488.46 |
| Molecular Formula: | C25 H20 N4 O7 |
| Smiles: | C\C(CC(C1=C(c2ccccc2OC1=O)O)c1ccccc1)=N/Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1314 |
| logD: | 2.4961 |
| logSw: | -4.9143 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.23 |
| InChI Key: | KBNQBCQYQHNTPV-IBGZPJMESA-N |