2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | Y041-4471 |
| Compound Name: | 2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C27 H18 O7 |
| Smiles: | CC1C(=Cc2ccccc2O1)/C=C1/C(c2ccc(cc2O1)OC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2342 |
| logD: | 5.2342 |
| logSw: | -5.1274 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.508 |
| InChI Key: | DGCBKVTWLWOLGI-HNNXBMFYSA-N |