ethyl 5-[(5-methylfuran-2-yl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(5-methylfuran-2-yl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(5-methylfuran-2-yl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3770-0032 |
| Compound Name: | ethyl 5-[(5-methylfuran-2-yl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C19 H16 N2 O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2ccc(C)o2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7516 |
| logD: | 3.3483 |
| logSw: | -4.4597 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.761 |
| InChI Key: | LBACOBUYRZMVBD-UHFFFAOYSA-N |