2-[(2H-1-benzopyran-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl benzoate
Chemical Structure Depiction of
2-[(2H-1-benzopyran-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl benzoate
2-[(2H-1-benzopyran-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl benzoate
Compound characteristics
| Compound ID: | Y041-3910 |
| Compound Name: | 2-[(2H-1-benzopyran-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl benzoate |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C25 H16 O5 |
| Smiles: | C1C(=Cc2ccccc2O1)/C=C1/C(c2ccc(cc2O1)OC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9587 |
| logD: | 4.9587 |
| logSw: | -4.9962 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.111 |
| InChI Key: | WVGZHJZZMIGWRE-UHFFFAOYSA-N |