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5-[[3-Chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

HCID 178696201
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
496768-92-4
Standard SMILES
CCOc1cc(C=C2SC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc(F)c1
InChIKey
GTQAIOLZWZTYDZ-UHFFFAOYSA-N
Molecular formula
C26H20ClF2NO4S
Average molar mass
516 g/mol
Monoisotopic mass
515.0769633

Names & identifiers

Preferred name
5-[[3-Chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
IUPAC
5-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
English name
5-{3-chloro-5-ethoxy-4-[(3-fluorobenzyl)oxy]benzylidene}-3-(2-fluorobenzyl)-1,3-thiazolidine-2,4-dione
Molecular formula
C26H20ClF2NO4S
Molecular weight
515.96

Names & synonyms

5-{3-chloro-5-ethoxy-4-[(3-fluorobenzyl)oxy]benzylidene}-3-(2-fluorobenzyl)-1,3-thiazolidine-2,4-dione

Database identifiers

CAS
496768-92-4
PubChem CID
4583481

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
81.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
35
Formal charge
0
Complexity
786

Physicochemical properties

Boiling point
641.932 · 641.932±65.00 °C(Press: 760.00 Torr)(predicted)
Density
1.418 · 1.418±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
-2.788 · -2.788±0.20(predicted)

Chemistry & industry

Suppliers1 total

SPECS[email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes