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89007-28-3 | Piperazine, 1-(6-methoxypyrazinyl)-4-(phenylacetyl)-
CAS No: 89007-28-3 Catalog No: AG0044U4 MDL No:
Product Description
Catalog Number:
AG0044U4
Chemical Name:
Piperazine, 1-(6-methoxypyrazinyl)-4-(phenylacetyl)-
CAS Number:
89007-28-3
Molecular Formula:
C17H20N4O2
Molecular Weight:
312.3663
IUPAC Name:
1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-2-phenylethanone
InChI:
InChI=1S/C17H20N4O2/c1-23-16-13-18-12-15(19-16)20-7-9-21(10-8-20)17(22)11-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChI Key:
HKKPECCBQKAADU-UHFFFAOYSA-N
SMILES:
COc1cncc(n1)N1CCN(CC1)C(=O)Cc1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.373g/mol
Monoisotopic Mass:
312.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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