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893612-07-2 | 2-Pyrazinamine,5-bromo-3-(3-phenyl-1-piperazinyl)-
CAS No: 893612-07-2 Catalog No: AG003YX0 MDL No:MFCD08056173
Product Description
Catalog Number:
AG003YX0
Chemical Name:
2-Pyrazinamine,5-bromo-3-(3-phenyl-1-piperazinyl)-
CAS Number:
893612-07-2
Molecular Formula:
C14H16BrN5
Molecular Weight:
334.2143
MDL Number:
MFCD08056173
IUPAC Name:
5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
InChI:
InChI=1S/C14H16BrN5/c15-12-8-18-13(16)14(19-12)20-7-6-17-11(9-20)10-4-2-1-3-5-10/h1-5,8,11,17H,6-7,9H2,(H2,16,18)
InChI Key:
IQNZGGJWXBMSKX-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(n1)N1CCNC(C1)c1ccccc1)N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.221g/mol
Monoisotopic Mass:
333.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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