ethyl 2-(2,4-dimethoxyanilino)-5-[(3-hydroxy-4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,4-dimethoxyanilino)-5-[(3-hydroxy-4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2,4-dimethoxyanilino)-5-[(3-hydroxy-4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V008-3455 |
| Compound Name: | ethyl 2-(2,4-dimethoxyanilino)-5-[(3-hydroxy-4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 472.47 |
| Molecular Formula: | C22 H20 N2 O8 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2OC)OC)SC(=C\c2ccc(c(c2)O)[N+]([O-])=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3538 |
| logD: | 3.4932 |
| logSw: | -4.207 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.222 |
| InChI Key: | ULJOJYUAMJUTTN-UHFFFAOYSA-N |