(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzene-1-sulfonate
(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | IB07-9698 |
| Compound Name: | (2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 498.51 |
| Molecular Formula: | C25 H22 O9 S |
| Smiles: | COc1ccc(cc1)S(=O)(=O)Oc1ccc2C(/C(=C/c3ccc(c(c3OC)OC)OC)Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.31 |
| logD: | 4.31 |
| logSw: | -5.07 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 173.47 |
| InChI Key: | CGVNFPIHFGOANH-UHFFFAOYSA-N |