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89574-72-1 | 1H-Imidazo[4,5-b]pyridine, 2-[3-(methylsulfonyl)-2-naphthalenyl]-
CAS No: 89574-72-1 Catalog No: AG003Z90 MDL No:
Product Description
Catalog Number:
AG003Z90
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 2-[3-(methylsulfonyl)-2-naphthalenyl]-
CAS Number:
89574-72-1
Molecular Formula:
C17H13N3O2S
Molecular Weight:
323.3690
IUPAC Name:
2-(3-methylsulfonylnaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C17H13N3O2S/c1-23(21,22)15-10-12-6-3-2-5-11(12)9-13(15)16-19-14-7-4-8-18-17(14)20-16/h2-10H,1H3,(H,18,19,20)
InChI Key:
QFUNOUGKGLIWTL-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1cc2ccccc2cc1c1[nH]c2c(n1)nccc2
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.37g/mol
Monoisotopic Mass:
323.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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