ethyl 5-[(2-hydroxy-3-methylphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-hydroxy-3-methylphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2-hydroxy-3-methylphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-8557 |
| Compound Name: | ethyl 5-[(2-hydroxy-3-methylphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C21 H18 N2 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C\c2cccc(C)c2O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2903 |
| logD: | 3.9093 |
| logSw: | -5.1118 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.978 |
| InChI Key: | JWJUEWHIGXGJKI-UHFFFAOYSA-N |