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Home > Imidazoles > 89075-56-9
89075-56-9 | 1H-Imidazo[4,5-c]pyridine, 2-[2-[2-(ethylthio)ethoxy]-4-methoxyphenyl]-
CAS No: 89075-56-9 Catalog No: AG004078 MDL No:
Product Description
Catalog Number:
AG004078
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[2-[2-(ethylthio)ethoxy]-4-methoxyphenyl]-
CAS Number:
89075-56-9
Molecular Formula:
C17H19N3O2S
Molecular Weight:
329.4167
IUPAC Name:
2-[2-(2-ethylsulfanylethoxy)-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C17H19N3O2S/c1-3-23-9-8-22-16-10-12(21-2)4-5-13(16)17-19-14-6-7-18-11-15(14)20-17/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,20)
InChI Key:
DRNOVJXDLWGKGU-UHFFFAOYSA-N
SMILES:
CCSCCOc1cc(OC)ccc1c1nc2c([nH]1)ccnc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.418g/mol
Monoisotopic Mass:
329.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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