ethyl 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-1280 |
| Compound Name: | ethyl 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C28 H28 N2 O4 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C/c2cc(C)n(c3ccccc3)c2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1507 |
| logD: | 6.1267 |
| logSw: | -5.4724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.905 |
| InChI Key: | OOOZSHIUIVUHLU-UHFFFAOYSA-N |