methyl 2-(3,4-dimethoxyanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3,4-dimethoxyanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3,4-dimethoxyanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-7281 |
| Compound Name: | methyl 2-(3,4-dimethoxyanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C23 H23 N O7 S |
| Smiles: | CCOc1cc(\C=C2/C(C(=C(Nc3ccc(c(c3)OC)OC)S2)C(=O)OC)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.6456 |
| logD: | 3.4576 |
| logSw: | -3.5211 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.557 |
| InChI Key: | ZOJPHXLJKHKAHF-UHFFFAOYSA-N |