(E)-5-((5-(4-Fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione

C₁₄H₈FNO₃SCAS 1218777-13-9289.28 g/mol

Open in Covalent MOL file

Alkene Amide Aryl halide Lactam Sulfide

Properties

Molecular formula: C₁₄H₈FNO₃S
Molar mass: 289.28 g/mol
Exact mass: 289.0209 Da
logP: 3.41Crippen estimate
Polar surface area: 59.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

1218777-13-9

SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=O)NC(=O)S3)F

InChIKey

UFBTYTGRUBUUIL-KPKJPENVSA-N

InChI

InChI=1S/C14H8FNO3S/c15-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)/b12-7+

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Names and synonyms

1 names

Cay10505

Work with (E)-5-((5-(4-Fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione

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

5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-530 % similar

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

Elsewhere

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