ethyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3585-0292 |
| Compound Name: | ethyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C21 H18 N2 O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2ccc(c(c2)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0898 |
| logD: | 2.7088 |
| logSw: | -3.9432 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.677 |
| InChI Key: | KLWPAZFMZNRXKA-UHFFFAOYSA-N |