ethyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3335 |
| Compound Name: | ethyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 456.47 |
| Molecular Formula: | C22 H20 N2 O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2cccc(c2OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8364 |
| logD: | 3.4553 |
| logSw: | -4.5515 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.846 |
| InChI Key: | BVCWWEHZCRLFAV-UHFFFAOYSA-N |