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1391524-48-3 | 2-Pyrazinecarboxamide, 6-chloro-5-(1,1-dimethylethyl)-N-(phenylmethyl)-
CAS No: 1391524-48-3 Catalog No: AG001AE8 MDL No:
Product Description
Catalog Number:
AG001AE8
Chemical Name:
2-Pyrazinecarboxamide, 6-chloro-5-(1,1-dimethylethyl)-N-(phenylmethyl)-
CAS Number:
1391524-48-3
Molecular Formula:
C16H18ClN3O
Molecular Weight:
303.7866
IUPAC Name:
N-benzyl-5-tert-butyl-6-chloropyrazine-2-carboxamide
InChI:
InChI=1S/C16H18ClN3O/c1-16(2,3)13-14(17)20-12(10-18-13)15(21)19-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,21)
InChI Key:
MMXDQSQNSRAAAQ-UHFFFAOYSA-N
SMILES:
O=C(c1cnc(c(n1)Cl)C(C)(C)C)NCc1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.79g/mol
Monoisotopic Mass:
303.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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