5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7A-tetrahydrothieno[3,2-C]pyridin-2(4H)-one

C₁₈H₁₈FNO₂SCAS 150322-38-6331.41 g/mol

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Alkene Aryl halide Ketone Sulfide Tertiary amine

Properties

Molecular formula: C₁₈H₁₈FNO₂S
Molar mass: 331.41 g/mol
Exact mass: 331.1042 Da
logP: 3.12Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

150322-38-6

SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC4C(=CC(=O)S4)C3

InChIKey

MJAMUSZUMAHFLH-UHFFFAOYSA-N

InChI

InChI=1S/C18H18FNO2S/c19-14-4-2-1-3-13(14)17(18(22)11-5-6-11)20-8-7-15-12(10-20)9-16(21)23-15/h1-4,9,11,15,17H,5-8,10H2

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Names and synonyms

1 names

Prasugrel desacetyl

Work with 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7A-tetrahydrothieno[3,2-C]pyridin-2(4H)-one

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-Trityl-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one109904-26-947 % similar Prasugrel150322-43-341 % similar Prasugrel hydrochloride389574-19-040 % similar (2-Fluorophenyl)glycine2343-27-330 % similar

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

Elsewhere

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