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Home > Imidazoles > 113712-98-4
113712-98-4 | 5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl);methyl);sulfinyl);-1H-imidazo[4,5-b]pyridine
CAS No: 113712-98-4 Catalog No: AG0081IV MDL No:MFCD00929085
Product Description
Catalog Number:
AG0081IV
Chemical Name:
5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl);methyl);sulfinyl);-1H-imidazo[4,5-b]pyridine
CAS Number:
113712-98-4
Molecular Formula:
C16H18N4O3S
Molecular Weight:
346.4041
MDL Number:
MFCD00929085
IUPAC Name:
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
InChI Key:
ZBFDAUIVDSSISP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C
EC Number:
601-277-6
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.405g/mol
Monoisotopic Mass:
346.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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