methyl 4-[({2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate
methyl 4-[({2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate
Compound characteristics
| Compound ID: | Y041-1128 |
| Compound Name: | methyl 4-[({2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C23 H18 O5 S |
| Smiles: | Cc1ccsc1/C=C1/C(c2ccc(cc2O1)OCc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2214 |
| logD: | 5.2214 |
| logSw: | -5.2508 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.783 |
| InChI Key: | NWYFFNIOINORBD-UHFFFAOYSA-N |