3-(3-{[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]amino}phenyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3-{[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]amino}phenyl)-2H-1-benzopyran-2-one
3-(3-{[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]amino}phenyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1812-0669 |
| Compound Name: | 3-(3-{[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]amino}phenyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C29 H20 N2 O5 |
| Smiles: | C(c1ccccc1)c1cc(/C=N/c2cccc(c2)C2=Cc3ccccc3OC2=O)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.332 |
| logD: | 4.5299 |
| logSw: | -5.9595 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.304 |
| InChI Key: | XKQXCUITUNMLNI-UHFFFAOYSA-N |