3,3'-{[5-(4-nitrophenyl)furan-2-yl]methylene}bis(4-hydroxy-2H-1-benzopyran-2-one)
Chemical Structure Depiction of
3,3'-{[5-(4-nitrophenyl)furan-2-yl]methylene}bis(4-hydroxy-2H-1-benzopyran-2-one)
3,3'-{[5-(4-nitrophenyl)furan-2-yl]methylene}bis(4-hydroxy-2H-1-benzopyran-2-one)
Compound characteristics
| Compound ID: | 4169-2406 |
| Compound Name: | 3,3'-{[5-(4-nitrophenyl)furan-2-yl]methylene}bis(4-hydroxy-2H-1-benzopyran-2-one) |
| Molecular Weight: | 523.46 |
| Molecular Formula: | C29 H17 N O9 |
| Smiles: | c1ccc2c(c1)C(=C(C(C1=C(c3ccccc3OC1=O)O)c1ccc(c3ccc(cc3)[N+]([O-])=O)o1)C(=O)O2)O |
| Stereo: | ACHIRAL |
| logP: | 4.3877 |
| logD: | 1.4994 |
| logSw: | -4.5017 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.462 |
| InChI Key: | JQRZUSMQJYCKTG-UHFFFAOYSA-N |