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Home > Imidazoles > 77303-18-5
77303-18-5 | 3H-Imidazo[4,5-b]pyridine,2-[4-methoxy-2-[2-(methylsulfinyl)ethoxy]phenyl]-
CAS No: 77303-18-5 Catalog No: AG005CZK MDL No:
Product Description
Catalog Number:
AG005CZK
Chemical Name:
3H-Imidazo[4,5-b]pyridine,2-[4-methoxy-2-[2-(methylsulfinyl)ethoxy]phenyl]-
CAS Number:
77303-18-5
Molecular Formula:
C16H17N3O3S
Molecular Weight:
331.3895
IUPAC Name:
2-[4-methoxy-2-(2-methylsulfinylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C16H17N3O3S/c1-21-11-5-6-12(14(10-11)22-8-9-23(2)20)15-18-13-4-3-7-17-16(13)19-15/h3-7,10H,8-9H2,1-2H3,(H,17,18,19)
InChI Key:
PKNOXLRZOZVZIP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OCCS(=O)C)c1nc2c([nH]1)cccn2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.39g/mol
Monoisotopic Mass:
331.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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