2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-6-[(3-oxobutan-2-yl)oxy]-1-benzofuran-3(2H)-one
Chemical Structure Depiction of
2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-6-[(3-oxobutan-2-yl)oxy]-1-benzofuran-3(2H)-one
2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-6-[(3-oxobutan-2-yl)oxy]-1-benzofuran-3(2H)-one
Compound characteristics
| Compound ID: | Y043-5327 |
| Compound Name: | 2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-6-[(3-oxobutan-2-yl)oxy]-1-benzofuran-3(2H)-one |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C18 H17 N O4 |
| Smiles: | CC(C(C)=O)Oc1ccc2C(/C(=C\c3cccn3C)Oc2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0439 |
| logD: | 3.0439 |
| logSw: | -3.4934 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.877 |
| InChI Key: | BFXOVIYCFRCNST-LBPRGKRZSA-N |