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Home > Imidazoles > 89075-36-5
89075-36-5 | 1H-Imidazo[4,5-c]pyridine, 2-[4-(methylsulfinyl)-2-propoxyphenyl]-
CAS No: 89075-36-5 Catalog No: AG0087DH MDL No:
Product Description
Catalog Number:
AG0087DH
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[4-(methylsulfinyl)-2-propoxyphenyl]-
CAS Number:
89075-36-5
Molecular Formula:
C16H17N3O2S
Molecular Weight:
315.3901
IUPAC Name:
2-(4-methylsulfinyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C16H17N3O2S/c1-3-8-21-15-9-11(22(2)20)4-5-12(15)16-18-13-6-7-17-10-14(13)19-16/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChI Key:
SCIKNSQCBSHWEW-UHFFFAOYSA-N
SMILES:
CCCOc1cc(ccc1c1nc2c([nH]1)ccnc2)S(=O)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.391g/mol
Monoisotopic Mass:
315.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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