(4Z)-1-[3-(diethylamino)propyl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4Z)-1-[3-(diethylamino)propyl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
(4Z)-1-[3-(diethylamino)propyl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB02-3463 |
| Compound Name: | (4Z)-1-[3-(diethylamino)propyl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione |
| Molecular Weight: | 578.75 |
| Molecular Formula: | C34 H46 N2 O6 |
| Smiles: | CCN(CC)CCCN1C(\C(=C(/c2ccc3c(CC(C)O3)c2)O)C(C1=O)=O)c1ccc(c(c1)OCC)OCCC(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.66 |
| logD: | 3.37 |
| logSw: | -6.26 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.22 |
| InChI Key: | VQIZUEVWBAPZDP-UHFFFAOYSA-N |