(4E)-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4E)-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
(4E)-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB03-9302 |
| Compound Name: | (4E)-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)pyrrolidine-2,3-dione |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1c(/C(=C2/C(c3cccs3)N(Cc3cccnc3)C(C2=O)=O)O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.62 |
| logD: | 0.61 |
| logSw: | -1.44 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.15 |
| InChI Key: | DPILDOAYPHSHQE-SFHVURJKSA-N |