(4Z)-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[(pyridin-4-yl)methyl]pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4Z)-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[(pyridin-4-yl)methyl]pyrrolidine-2,3-dione
(4Z)-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[(pyridin-4-yl)methyl]pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB02-6270 |
| Compound Name: | (4Z)-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[(pyridin-4-yl)methyl]pyrrolidine-2,3-dione |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C31 H30 N2 O6 |
| Smiles: | CCOc1cc(ccc1OCC=C)C1\C(=C(/c2ccc3c(CC(C)O3)c2)O)C(C(N1Cc1ccncc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.79 |
| logD: | 3.79 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.72 |
| InChI Key: | IWBAWVDTNGVDFC-UHFFFAOYSA-N |