6-[(3-methylbut-2-en-1-yl)oxy]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3(2H)-one
Chemical Structure Depiction of
6-[(3-methylbut-2-en-1-yl)oxy]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3(2H)-one
6-[(3-methylbut-2-en-1-yl)oxy]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3(2H)-one
Compound characteristics
| Compound ID: | Y041-1151 |
| Compound Name: | 6-[(3-methylbut-2-en-1-yl)oxy]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3(2H)-one |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C20 H17 N O5 |
| Smiles: | CC(C)=CCOc1ccc2C(/C(=C/c3ccc(cc3)[N+]([O-])=O)Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0532 |
| logD: | 5.0532 |
| logSw: | -4.7549 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.162 |
| InChI Key: | QDMNSSUCJSLDIC-UHFFFAOYSA-N |