2-[2,6-Dimethyl-4-[(1E)-3-[4-(methylthio)phenyl]-3-oxo-1-propen-1-yl]phenoxy]-2-methylpropanoic acid

C₂₂H₂₄O₄SCAS 923978-27-2384.49 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether Ketone Sulfide

Properties

Molecular formula: C₂₂H₂₄O₄S
Molar mass: 384.49 g/mol
Exact mass: 384.1395 Da
logP: 5.16Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

923978-27-2

SMILES

CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1

InChIKey

AFLFKFHDSCQHOL-IZZDOVSWSA-N

InChI

InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+

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Names and synonyms

4 names

Propanoic acid, 2-[2,6-dimethyl-4-[(1E)-3-[4-(methylthio)phenyl]-3-oxo-1-propen-1-yl]phenoxy]-2-methyl-
GFT 505
Elafibranor
GFT-505

Work with 2-[2,6-Dimethyl-4-[(1E)-3-[4-(methylthio)phenyl]-3-oxo-1-propen-1-yl]phenoxy]-2-methylpropanoic acid

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Similar compounds

Fibric acid943-45-336 % similar 4′-Methoxychalcone959-23-935 % similar 4-(Methylthio)benzoic acid13205-48-635 % similar 4,4′-Dimethoxychalcone2373-89-934 % similar 4′-Hydroxychalcone2657-25-234 % similar Fenofibric acid42017-89-034 % similar trans-Chalcone614-47-133 % similar Clofibric acid882-09-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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