3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | Y041-1134 |
| Compound Name: | 3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 476.44 |
| Molecular Formula: | C26 H20 O9 |
| Smiles: | COc1ccc(/C=C2/C(c3ccc(cc3O2)OC(c2ccc3c(c2)OCO3)=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2517 |
| logD: | 4.2517 |
| logSw: | -4.4797 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.921 |
| InChI Key: | UQMWAOQWALXMEX-UHFFFAOYSA-N |