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 |