methyl 4-[({2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate
methyl 4-[({2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate
Compound characteristics
| Compound ID: | Y041-1121 |
| Compound Name: | methyl 4-[({2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate |
| Molecular Weight: | 404.39 |
| Molecular Formula: | C24 H17 F O5 |
| Smiles: | COC(c1ccc(COc2ccc3C(/C(=C/c4cccc(c4)F)Oc3c2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0825 |
| logD: | 5.0825 |
| logSw: | -5.1066 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.764 |
| InChI Key: | JWXRLYBAVDZTGU-UHFFFAOYSA-N |