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131634-44-1 | 1H-Indazole, 3-(4-methyl-1-piperazinyl)-1-(phenylsulfonyl)-
CAS No: 131634-44-1 Catalog No: AG000ZJH MDL No:
Product Description
Catalog Number:
AG000ZJH
Chemical Name:
1H-Indazole, 3-(4-methyl-1-piperazinyl)-1-(phenylsulfonyl)-
CAS Number:
131634-44-1
Molecular Formula:
C18H20N4O2S
Molecular Weight:
356.4420
IUPAC Name:
1-(benzenesulfonyl)-3-(4-methylpiperazin-1-yl)indazole
InChI:
InChI=1S/C18H20N4O2S/c1-20-11-13-21(14-12-20)18-16-9-5-6-10-17(16)22(19-18)25(23,24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChI Key:
KHIZGIFPTFEOLM-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.444g/mol
Monoisotopic Mass:
356.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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