(4Z)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4Z)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione
(4Z)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB01-9020 |
| Compound Name: | (4Z)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C26 H30 N2 O7 |
| Smiles: | CN(C)CCCN1C(\C(=C(/c2ccc3c(c2)OCCO3)O)C(C1=O)=O)c1ccc(c(c1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.34 |
| logD: | -0.57 |
| logSw: | -2.14 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 153.98 |
| InChI Key: | JGGDEBLOWSSJBJ-QHCPKHFHSA-N |