(4E)-1-[2-(diethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-{hydroxy[2-methyl-4-(2-methylpropoxy)phenyl]methylidene}pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4E)-1-[2-(diethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-{hydroxy[2-methyl-4-(2-methylpropoxy)phenyl]methylidene}pyrrolidine-2,3-dione
(4E)-1-[2-(diethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-{hydroxy[2-methyl-4-(2-methylpropoxy)phenyl]methylidene}pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB01-9129 |
| Compound Name: | (4E)-1-[2-(diethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-{hydroxy[2-methyl-4-(2-methylpropoxy)phenyl]methylidene}pyrrolidine-2,3-dione |
| Molecular Weight: | 510.63 |
| Molecular Formula: | C29 H38 N2 O6 |
| Smiles: | CCN(CC)CCN1C(/C(=C(/c2ccc(cc2C)OCC(C)C)O)C(C1=O)=O)c1ccc(c(c1)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.44 |
| logD: | 2.64 |
| logSw: | -5.25 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 135.91 |
| InChI Key: | WQOIPSUXLOWSJR-SANMLTNESA-N |