ethyl 2-anilino-5-[(4-hydroxy-3-iodophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(4-hydroxy-3-iodophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(4-hydroxy-3-iodophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
Compound ID: | 8015-7214 |
Compound Name: | ethyl 2-anilino-5-[(4-hydroxy-3-iodophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
Molecular Weight: | 493.32 |
Molecular Formula: | C20 H16 I N O4 S |
Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccc(c(c2)I)O)\C1=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2166 |
logD: | 5.1762 |
logSw: | -4.8004 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.665 |
InChI Key: | AXQDSEFFEKRNDA-UHFFFAOYSA-N |