(2Z)-2-[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-methoxybenzoate
Chemical Structure Depiction of
(2Z)-2-[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-methoxybenzoate
(2Z)-2-[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-methoxybenzoate
Compound characteristics
| Compound ID: | IB03-5634 |
| Compound Name: | (2Z)-2-[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-methoxybenzoate |
| Molecular Weight: | 464.86 |
| Molecular Formula: | C25 H17 Cl O7 |
| Smiles: | COc1cccc(c1)C(=O)Oc1ccc2C(/C(=C/c3cc(cc4COCOc34)[Cl])Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.79 |
| logD: | 4.79 |
| logSw: | -6.04 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 132.32 |
| InChI Key: | CKDBHWQNTALRSS-UHFFFAOYSA-N |