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1438853-90-7 | 2-Pyrazinecarboxamide, 5-chloro-N-[(3-chlorophenyl)methyl]-
CAS No: 1438853-90-7 Catalog No: AG001IK6 MDL No:
Product Description
Catalog Number:
AG001IK6
Chemical Name:
2-Pyrazinecarboxamide, 5-chloro-N-[(3-chlorophenyl)methyl]-
CAS Number:
1438853-90-7
Molecular Formula:
C12H9Cl2N3O
Molecular Weight:
282.1254
IUPAC Name:
5-chloro-N-[(3-chlorophenyl)methyl]pyrazine-2-carboxamide
InChI:
InChI=1S/C12H9Cl2N3O/c13-9-3-1-2-8(4-9)5-17-12(18)10-6-16-11(14)7-15-10/h1-4,6-7H,5H2,(H,17,18)
InChI Key:
ASOAPRDJWQEZHW-UHFFFAOYSA-N
SMILES:
Clc1ncc(nc1)C(=O)NCc1cccc(c1)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.124g/mol
Monoisotopic Mass:
281.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial evaluation of N-substituted 5-chloropyrazine-2-carboxamides. | Bioorganic & medicinal chemistry letters 20130615 |
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