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Home > Pyridines > 1000932-04-6
1000932-04-6 | 1,3-dimethyl-4-propyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate
CAS No: 1000932-04-6 Catalog No: AG019LD3 MDL No:MFCD09863424
Product Description
Catalog Number:
AG019LD3
Chemical Name:
1,3-dimethyl-4-propyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate
CAS Number:
1000932-04-6
Molecular Formula:
C18H21N3O3S
Molecular Weight:
359.4426
MDL Number:
MFCD09863424
IUPAC Name:
(1,3-dimethyl-4-propylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C18H21N3O3S/c1-5-6-14-11-16(19-18-17(14)13(3)20-21(18)4)24-25(22,23)15-9-7-12(2)8-10-15/h7-11H,5-6H2,1-4H3
InChI Key:
WQBOAWJRVOEUGW-UHFFFAOYSA-N
SMILES:
CCCc1cc(nc2c1c(C)nn2C)OS(=O)(=O)c1ccc(cc1)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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