methyl 5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-1045 |
| Compound Name: | methyl 5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Salt: | not_available |
| Smiles: | CCOc1cccc(\C=C2/C(C(=C(Nc3ccccc3OC)S2)C(=O)OC)=O)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.6592 |
| logD: | 4.4153 |
| logSw: | -4.3272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.159 |
| InChI Key: | JTXBAYDZVIDXOM-UHFFFAOYSA-N |