methyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
Compound ID: | V022-9974 |
Compound Name: | methyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
Molecular Weight: | 431.89 |
Molecular Formula: | C21 H18 Cl N O5 S |
Smiles: | CCOc1cc(\C=C2/C(C(=C(Nc3ccc(cc3)[Cl])S2)C(=O)OC)=O)ccc1O |
Stereo: | ACHIRAL |
logP: | 4.7054 |
logD: | 4.2756 |
logSw: | -4.7091 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.296 |
InChI Key: | ZHPZGUGQXDFMFR-UHFFFAOYSA-N |