(4E)-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4E)-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]pyrrolidine-2,3-dione
(4E)-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB03-9055 |
| Compound Name: | (4E)-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]pyrrolidine-2,3-dione |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C24 H32 N4 O5 |
| Smiles: | Cc1c(/C(=C2/C(c3ccc(c(c3)OC)OC)N(CCCN(C)C)C(C2=O)=O)O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5 |
| logD: | -1.41 |
| logSw: | -1.7 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.91 |
| InChI Key: | JQWMQYXDQDLNJN-NRFANRHFSA-N |