(4E)-5-(2,3-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[(2,4-dimethylpyrimidin-5-yl)(hydroxy)methylidene]pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4E)-5-(2,3-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[(2,4-dimethylpyrimidin-5-yl)(hydroxy)methylidene]pyrrolidine-2,3-dione
(4E)-5-(2,3-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[(2,4-dimethylpyrimidin-5-yl)(hydroxy)methylidene]pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB03-9847 |
| Compound Name: | (4E)-5-(2,3-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[(2,4-dimethylpyrimidin-5-yl)(hydroxy)methylidene]pyrrolidine-2,3-dione |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C24 H30 N4 O5 |
| Smiles: | Cc1c(cnc(C)n1)/C(=C1/C(c2cccc(c2OC)OC)N(CCCN(C)C)C(C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.19 |
| logD: | -0.72 |
| logSw: | -2.07 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.57 |
| InChI Key: | OXPLELKPICGQFK-FQEVSTJZSA-N |