(4Z)-1-[3-(dimethylamino)propyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4Z)-1-[3-(dimethylamino)propyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
(4Z)-1-[3-(dimethylamino)propyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB01-8707 |
| Compound Name: | (4Z)-1-[3-(dimethylamino)propyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione |
| Molecular Weight: | 550.7 |
| Molecular Formula: | C32 H42 N2 O6 |
| Smiles: | CCCCCOc1ccc(cc1OCC)C1\C(=C(/c2ccc3c(CC(C)O3)c2)O)C(C(N1CCCN(C)C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.94 |
| logD: | 3.03 |
| logSw: | -5.32 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.26 |
| InChI Key: | XQPGXINKRUBLAM-UHFFFAOYSA-N |