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879131-33-6 | Pyrazinecarboxamide, 5-(1,1-dimethylethyl)-N-(3-methoxyphenyl)-
CAS No: 879131-33-6 Catalog No: AG004DR9 MDL No:
Product Description
Catalog Number:
AG004DR9
Chemical Name:
Pyrazinecarboxamide, 5-(1,1-dimethylethyl)-N-(3-methoxyphenyl)-
CAS Number:
879131-33-6
Molecular Formula:
C16H19N3O2
Molecular Weight:
285.3410
IUPAC Name:
5-tert-butyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
InChI:
InChI=1S/C16H19N3O2/c1-16(2,3)14-10-17-13(9-18-14)15(20)19-11-6-5-7-12(8-11)21-4/h5-10H,1-4H3,(H,19,20)
InChI Key:
FSZVIHJFHMAJOE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)c1cnc(cn1)C(C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.347g/mol
Monoisotopic Mass:
285.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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