ethyl 5-[(4-hydroxy-2-methoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-hydroxy-2-methoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(4-hydroxy-2-methoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
Compound ID: | V022-8517 |
Compound Name: | ethyl 5-[(4-hydroxy-2-methoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
Molecular Weight: | 411.48 |
Molecular Formula: | C22 H21 N O5 S |
Salt: | not_available |
Smiles: | CCOC(C1=C(Nc2cccc(C)c2)SC(=C\c2ccc(cc2OC)O)\C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9941 |
logD: | 4.9865 |
logSw: | -4.4251 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.365 |
InChI Key: | BFHNCSXJAOQAGM-UHFFFAOYSA-N |