methyl 2-anilino-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
Compound ID: | 4302-2416 |
Compound Name: | methyl 2-anilino-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
Molecular Weight: | 367.42 |
Molecular Formula: | C20 H17 N O4 S |
Smiles: | COC(C1=C(Nc2ccccc2)SC(=C/c2ccc(cc2)OC)\C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2008 |
logD: | 4.1892 |
logSw: | -4.3242 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.081 |
InChI Key: | MYBKQNHTTQKGFL-UHFFFAOYSA-N |