methyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-9834 |
| Compound Name: | methyl 5-[(2,3-dimethoxyphenyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H23 N O6 S |
| Smiles: | CCOc1ccc(cc1)NC1=C(C(/C(=C\c2cccc(c2OC)OC)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7074 |
| logD: | 4.6833 |
| logSw: | -4.388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.008 |
| InChI Key: | DGIJKKFZQKOAFK-UHFFFAOYSA-N |