ethyl 2-(3,4-dimethoxyanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,4-dimethoxyanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,4-dimethoxyanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V011-5259 |
| Compound Name: | ethyl 2-(3,4-dimethoxyanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 456.47 |
| Molecular Formula: | C22 H20 N2 O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccc(cc2)[N+]([O-])=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.443 |
| logD: | 4.255 |
| logSw: | -4.3761 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.759 |
| InChI Key: | UNEOIZULNGLKEU-UHFFFAOYSA-N |