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879131-41-6 | Pyrazinecarboxamide, N-(3,4-dichlorophenyl)-5-(1,1-dimethylethyl)-
CAS No: 879131-41-6 Catalog No: AG004DR5 MDL No:
Product Description
Catalog Number:
AG004DR5
Chemical Name:
Pyrazinecarboxamide, N-(3,4-dichlorophenyl)-5-(1,1-dimethylethyl)-
CAS Number:
879131-41-6
Molecular Formula:
C15H15Cl2N3O
Molecular Weight:
324.2051
IUPAC Name:
5-tert-butyl-N-(3,4-dichlorophenyl)pyrazine-2-carboxamide
InChI:
InChI=1S/C15H15Cl2N3O/c1-15(2,3)13-8-18-12(7-19-13)14(21)20-9-4-5-10(16)11(17)6-9/h4-8H,1-3H3,(H,20,21)
InChI Key:
ZTEMAJYUYBLQIJ-UHFFFAOYSA-N
SMILES:
O=C(c1cnc(cn1)C(C)(C)C)Nc1ccc(c(c1)Cl)Cl
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.205g/mol
Monoisotopic Mass:
323.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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