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147425-80-7 | 2-Pyrazinecarboxamide, 5-benzoyl-
CAS No: 147425-80-7 Catalog No: AG001EWF MDL No:
Product Description
Catalog Number:
AG001EWF
Chemical Name:
2-Pyrazinecarboxamide, 5-benzoyl-
CAS Number:
147425-80-7
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
IUPAC Name:
5-benzoylpyrazine-2-carboxamide
InChI:
InChI=1S/C12H9N3O2/c13-12(17)10-7-14-9(6-15-10)11(16)8-4-2-1-3-5-8/h1-7H,(H2,13,17)
InChI Key:
WGSQHABKGRTJLW-UHFFFAOYSA-N
SMILES:
O=C(c1ncc(nc1)C(=O)N)c1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Substituted 5-aroylpyrazine-2-carboxylic acid derivatives: synthesis and biological activity. | Farmaco (Societa chimica italiana : 1989) 20031101 |
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