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Home > Indoles and Oxindole > 191588-96-2
191588-96-2 | 1H-Indole-5-methanesulfonamide, 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-, hydrochloride (1:1)
CAS No: 191588-96-2 Catalog No: AG002FC7 MDL No:
Product Description
Catalog Number:
AG002FC7
Chemical Name:
1H-Indole-5-methanesulfonamide, 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-, hydrochloride (1:1)
CAS Number:
191588-96-2
Molecular Formula:
C22H31ClN6O3S
Molecular Weight:
495.0379
IUPAC Name:
1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;hydrochloride
InChI:
InChI=1S/C22H30N6O3S.ClH/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22;/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3;1H
InChI Key:
JWIBFHSLXIGVGV-UHFFFAOYSA-N
SMILES:
COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC.Cl
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.187g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
495.039g/mol
Monoisotopic Mass:
494.187g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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