3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | Y041-1132 |
| Compound Name: | 3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 387.35 |
| Molecular Formula: | C22 H13 N O6 |
| Smiles: | C1Oc2ccc(cc2O1)C(=O)Oc1ccc2C(/C(=C/c3cccnc3)Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2111 |
| logD: | 3.2111 |
| logSw: | -3.4993 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.374 |
| InChI Key: | HQJPELHJTXCCNR-UHFFFAOYSA-N |