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Home > Quinoline > 141543-82-0
141543-82-0 | Piperazine, 1-(5-isoquinolinylsulfonyl)-4-methyl-
CAS No: 141543-82-0 Catalog No: AG007KPN MDL No:
Product Description
Catalog Number:
AG007KPN
Chemical Name:
Piperazine, 1-(5-isoquinolinylsulfonyl)-4-methyl-
CAS Number:
141543-82-0
Molecular Formula:
C14H17N3O2S
Molecular Weight:
291.3687
IUPAC Name:
5-(4-methylpiperazin-1-yl)sulfonylisoquinoline
InChI:
InChI=1S/C14H17N3O2S/c1-16-7-9-17(10-8-16)20(18,19)14-4-2-3-12-11-15-6-5-13(12)14/h2-6,11H,7-10H2,1H3
InChI Key:
JBBUGSQSUKDBET-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)S(=O)(=O)c1cccc2c1ccnc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.369g/mol
Monoisotopic Mass:
291.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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