ethyl 2-anilino-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
Compound ID: | 5648-3079 |
Compound Name: | ethyl 2-anilino-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
Molecular Weight: | 446.32 |
Molecular Formula: | C20 H16 Br N O4 S |
Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccc(c(c2)[Br])O)\C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.868 |
logD: | 4.829 |
logSw: | -4.2176 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.665 |
InChI Key: | KGOHBNIEKZBZLI-UHFFFAOYSA-N |