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N-Benzyl-2-(4-((5-chlorothiophen-2-yl)methoxy)-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide

HCID 57744508
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nc(-n2ccc(OCc3ccc(Cl)s3)cc2=O)sc1C(=O)NCc1ccccc1
InChIKey
CSKJCSAETHAZSD-UHFFFAOYSA-N
Molecular formula
C22H18ClN3O3S2
Average molar mass
472 g/mol
Monoisotopic mass
471.0478115

Names & identifiers

Preferred name
N-Benzyl-2-(4-((5-chlorothiophen-2-yl)methoxy)-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
IUPAC
N-benzyl-2-[4-[(5-chlorothiophen-2-yl)methoxy]-2-oxo-1-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide

Names & synonyms

SCHEMBL3425675CSKJCSAETHAZSD-UHFFFAOYSA-NN-Benzyl-2-(4-((5-chlorothiophen-2-yl)methoxy)-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide

Database identifiers

PubChem CID
57744508

Properties

Computed structural propertiesFilling in

XLogP
4.7
Topological polar surface area
128 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Formal charge
0
Complexity
729

Related reactions

2 records
New reaction record
HRID 139671 reaction equation
HRID 139671As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1887342 reaction equation
HRID 1887342As productuspto-grants-2013_08

Compound notes

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