(4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
(4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB03-9036 |
| Compound Name: | (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | Cc1c(/C(=C2/C(c3ccccc3OC)N(CCCN(C)C)C(C2=O)=O)O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.97 |
| logD: | -0.94 |
| logSw: | -1.88 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.72 |
| InChI Key: | VELKAUBCTFNVNE-FQEVSTJZSA-N |