2-(3,4-dimethoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(3,4-dimethoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1784 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 377.35 |
| Molecular Formula: | C21 H15 N O6 |
| Smiles: | COc1ccc(cc1OC)C1=NC(=C/C2=COc3ccccc3C2=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.5631 |
| logD: | 2.5631 |
| logSw: | -3.1936 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.53 |
| InChI Key: | UQFXYELVCNESFE-UHFFFAOYSA-N |