(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB02-0048 |
| Compound Name: | (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C34 H37 N O6 |
| Smiles: | CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(CC(C)O3)c2)O)C(C(N1CCc1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.33 |
| logD: | 6.33 |
| logSw: | -6.91 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114 |
| InChI Key: | HNTHMYASZPOISF-UHFFFAOYSA-N |