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127356-05-2 | 3H-Imidazo[4,5-b]pyridin-6-amine, 2-[2-methoxy-4-(methylsulfinyl)phenyl]-
CAS No: 127356-05-2 Catalog No: AG000WXS MDL No:
Product Description
Catalog Number:
AG000WXS
Chemical Name:
3H-Imidazo[4,5-b]pyridin-6-amine, 2-[2-methoxy-4-(methylsulfinyl)phenyl]-
CAS Number:
127356-05-2
Molecular Formula:
C14H14N4O2S
Molecular Weight:
302.3516
IUPAC Name:
2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridin-6-amine
InChI:
InChI=1S/C14H14N4O2S/c1-20-12-6-9(21(2)19)3-4-10(12)13-17-11-5-8(15)7-16-14(11)18-13/h3-7H,15H2,1-2H3,(H,16,17,18)
InChI Key:
VDFNDGBUMJWCPT-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1nc2c([nH]1)ncc(c2)N)S(=O)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.352g/mol
Monoisotopic Mass:
302.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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