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Home > Imidazoles > 89075-29-6
89075-29-6 | 1H-Imidazo[4,5-c]pyridine, 2-[4-(methylthio)-2-propoxyphenyl]-
CAS No: 89075-29-6 Catalog No: AG0040A6 MDL No:
Product Description
Catalog Number:
AG0040A6
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[4-(methylthio)-2-propoxyphenyl]-
CAS Number:
89075-29-6
Molecular Formula:
C16H17N3OS
Molecular Weight:
299.3907
IUPAC Name:
2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C16H17N3OS/c1-3-8-20-15-9-11(21-2)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:
KWDCJYKAFCWWMI-UHFFFAOYSA-N
SMILES:
CCCOc1cc(SC)ccc1c1nc2c([nH]1)ccnc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.392g/mol
Monoisotopic Mass:
299.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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