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1438854-01-3

1438854-01-3 | 2-Pyrazinecarboxamide, 5-chloro-N-(2,4-dimethoxyphenyl)-

CAS No: 1438854-01-3 Catalog No: AG001IK0 MDL No:

Product Description

Catalog Number:
AG001IK0
Chemical Name:
2-Pyrazinecarboxamide, 5-chloro-N-(2,4-dimethoxyphenyl)-
CAS Number:
1438854-01-3
Molecular Formula:
C13H12ClN3O3
Molecular Weight:
293.7057
IUPAC Name:
5-chloro-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
InChI:
InChI=1S/C13H12ClN3O3/c1-19-8-3-4-9(11(5-8)20-2)17-13(18)10-6-16-12(14)7-15-10/h3-7H,1-2H3,(H,17,18)
InChI Key:
LQPTZKCWGKQJGR-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1NC(=O)c1cnc(cn1)Cl

Properties

Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.707g/mol
Monoisotopic Mass:
293.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Synthesis and antimycobacterial evaluation of N-substituted 5-chloropyrazine-2-carboxamides. Bioorganic & medicinal chemistry letters 20130615

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