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Home > Pyridines > 929975-61-1
929975-61-1 | 1-(butan-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate
CAS No: 929975-61-1 Catalog No: AG019KH9 MDL No:MFCD09040460
Product Description
Catalog Number:
AG019KH9
Chemical Name:
1-(butan-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate
CAS Number:
929975-61-1
Molecular Formula:
C18H21N3O3S
Molecular Weight:
359.4426
MDL Number:
MFCD09040460
IUPAC Name:
(1-butan-2-yl-4-methylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C18H21N3O3S/c1-5-14(4)21-18-16(11-19-21)13(3)10-17(20-18)24-25(22,23)15-8-6-12(2)7-9-15/h6-11,14H,5H2,1-4H3
InChI Key:
PZGGQGYIHLCJOO-UHFFFAOYSA-N
SMILES:
CCC(n1ncc2c1nc(cc2C)OS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.13g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.444g/mol
Monoisotopic Mass:
359.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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