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105628-87-3 | Piperazine, 1-[(1,2-dihydro-1-oxo-5-isoquinolinyl)sulfonyl]-
CAS No: 105628-87-3 Catalog No: AG007VZJ MDL No:
Product Description
Catalog Number:
AG007VZJ
Chemical Name:
Piperazine, 1-[(1,2-dihydro-1-oxo-5-isoquinolinyl)sulfonyl]-
CAS Number:
105628-87-3
Molecular Formula:
C13H15N3O3S
Molecular Weight:
293.3415
IUPAC Name:
5-piperazin-1-ylsulfonyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C13H15N3O3S/c17-13-11-2-1-3-12(10(11)4-5-15-13)20(18,19)16-8-6-14-7-9-16/h1-5,14H,6-9H2,(H,15,17)
InChI Key:
STDZGCHUVZWDNY-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1cccc2S(=O)(=O)N1CCNCC1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.341g/mol
Monoisotopic Mass:
293.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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