ethyl 2-(3,5-dimethylanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,5-dimethylanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,5-dimethylanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
Compound ID: | V018-4632 |
Compound Name: | ethyl 2-(3,5-dimethylanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
Molecular Weight: | 425.5 |
Molecular Formula: | C23 H23 N O5 S |
Salt: | not_available |
Smiles: | CCOC(C1=C(Nc2cc(C)cc(C)c2)SC(=C\c2ccc(c(c2)OC)O)\C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8572 |
logD: | 4.8521 |
logSw: | -4.304 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.296 |
InChI Key: | VFTMXAXYELCXBF-UHFFFAOYSA-N |