5-Trityl-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

C₂₆H₂₃NOSCAS 109904-26-9397.54 g/mol

Open in Covalent MOL file

Alkene Sulfide Tertiary amine

Properties

Molecular formula: C₂₆H₂₃NOS
Molar mass: 397.54 g/mol
Exact mass: 397.1500 Da
logP: 5.25Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

109904-26-9

SMILES

C1CN(CC2=CC(=O)SC21)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChIKey

QWWKINCXTMBNIV-UHFFFAOYSA-N

InChI

InChI=1S/C26H23NOS/c28-25-18-20-19-27(17-16-24(20)29-25)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18,24H,16-17,19H2

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Names and synonyms

1 names

5,6,7,7A-Tetrahydro-5-(triphenylmethyl)thieno[3,2-C]pyridinone

Work with 5-Trityl-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

5,6,7,7A-Tetrahydrothieno[3,2-C]pyridin-2(4H)-one hydrochloride (1:1)115473-15-935 % similar Trifenmorph1420-06-035 % similar

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

Elsewhere

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