2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | Y041-1116 |
| Compound Name: | 2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C22 H14 O6 S |
| Smiles: | Cc1ccsc1/C=C1/C(c2ccc(cc2O1)OC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.532 |
| logD: | 4.532 |
| logSw: | -4.4376 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.875 |
| InChI Key: | LZYMJBYMCQLZKV-UHFFFAOYSA-N |