ethyl 5-[(3-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3585-0220 |
| Compound Name: | ethyl 5-[(3-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C20 H16 N2 O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2cccc(c2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.407 |
| logD: | 3.026 |
| logSw: | -4.0432 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.116 |
| InChI Key: | KHULRQCVCGHDIG-UHFFFAOYSA-N |