5-[(2,2-Difluoro-1,3-benzodioxol-5-yl)methylene]-2,4-thiazolidinedione

C₁₁H₅F₂NO₄SCAS 648449-76-7285.22 g/mol

Open in Covalent MOL file

Acetal Alkene Alkyl halide Ether Sulfide

Properties

Molecular formula: C₁₁H₅F₂NO₄S
Molar mass: 285.22 g/mol
Exact mass: 284.9907 Da
logP: 3.17Crippen estimate
Polar surface area: 68.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

648449-76-7

SMILES

O=C1N=C(O)C(=Cc2ccc3c(c2)OC(F)(F)O3)S1

InChIKey

SRLVNYDXMUGOFI-UHFFFAOYSA-N

InChI

InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)

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Names and synonyms

3 names

2,4-Thiazolidinedione, 5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-
5-[(2,2-Difluoro-1,3-benzodioxol-5-yl)methylene]thiazolidine-2,4-dione
AS 604850

Work with 5-[(2,2-Difluoro-1,3-benzodioxol-5-yl)methylene]-2,4-thiazolidinedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid656-46-244 % similar 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid862574-88-742 % similar 5-[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-1,3-thiazolidine-2,4-dione144809-28-940 % similar 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride127163-51-338 % similar 2,2-Difluorobenzodioxole-5-carboxylic acid methyl ester773873-95-337 % similar 2,2,5-Trifluoro-1,3-benzodioxole656-43-935 % similar 5-(4-Dimethylaminobenzylidene)rhodanine536-17-433 % similar P-Diethylaminobenzylidenerhodanine35778-58-632 % similar

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

Elsewhere

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