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Home > Indoles and Oxindole > 497963-68-5
497963-68-5 | 1H-Indole, 1-[[7-(4-methyl-1-piperazinyl)-1H-indol-3-yl]sulfonyl]-
CAS No: 497963-68-5 Catalog No: AG006Y1A MDL No:
Product Description
Catalog Number:
AG006Y1A
Chemical Name:
1H-Indole, 1-[[7-(4-methyl-1-piperazinyl)-1H-indol-3-yl]sulfonyl]-
CAS Number:
497963-68-5
Molecular Formula:
C21H22N4O2S
Molecular Weight:
394.4900
IUPAC Name:
3-indol-1-ylsulfonyl-7-(4-methylpiperazin-1-yl)-1H-indole
InChI:
InChI=1S/C21H22N4O2S/c1-23-11-13-24(14-12-23)19-8-4-6-17-20(15-22-21(17)19)28(26,27)25-10-9-16-5-2-3-7-18(16)25/h2-10,15,22H,11-14H2,1H3
InChI Key:
OJZHBRJWLTXUBQ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc2c1[nH]cc2S(=O)(=O)n1ccc2c1cccc2
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.146g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.493g/mol
Monoisotopic Mass:
394.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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