ethyl 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3210 |
| Compound Name: | ethyl 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 498.51 |
| Molecular Formula: | C24 H22 N2 O8 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2cc(cc(c2O)OCC)[N+]([O-])=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8922 |
| logD: | 1.9363 |
| logSw: | -4.3951 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.367 |
| InChI Key: | MNXQUULPHXZRMK-UHFFFAOYSA-N |