(4Z)-1-[3-(diethylamino)propyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4Z)-1-[3-(diethylamino)propyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}pyrrolidine-2,3-dione
(4Z)-1-[3-(diethylamino)propyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB01-8638 |
| Compound Name: | (4Z)-1-[3-(diethylamino)propyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}pyrrolidine-2,3-dione |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C30 H36 N2 O5 |
| Smiles: | CCN(CC)CCCN1C(\C(=C(/c2ccc3c(CC(C)O3)c2)O)C(C1=O)=O)c1ccc(cc1)OCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.62 |
| logD: | 2.33 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.32 |
| InChI Key: | LWKJMOFLZXLZHX-UHFFFAOYSA-N |