benzyl ({2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Chemical Structure Depiction of
benzyl ({2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
benzyl ({2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Compound characteristics
| Compound ID: | Y041-1167 |
| Compound Name: | benzyl ({2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate |
| Molecular Weight: | 495.33 |
| Molecular Formula: | C25 H19 Br O6 |
| Smiles: | COc1ccc(cc1/C=C1/C(c2ccc(cc2O1)OCC(=O)OCc1ccccc1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4227 |
| logD: | 5.4227 |
| logSw: | -5.5522 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.755 |
| InChI Key: | DABLHFGWPJIGSW-UHFFFAOYSA-N |