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Home > Imidazoles > 677343-20-3
677343-20-3 | 1H-Imidazole, 4-[[4-[(4-methoxyphenyl)thio]phenyl]methyl]-
CAS No: 677343-20-3 Catalog No: AG006K03 MDL No:
Product Description
Catalog Number:
AG006K03
Chemical Name:
1H-Imidazole, 4-[[4-[(4-methoxyphenyl)thio]phenyl]methyl]-
CAS Number:
677343-20-3
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
IUPAC Name:
5-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]-1H-imidazole
InChI:
InChI=1S/C17H16N2OS/c1-20-15-4-8-17(9-5-15)21-16-6-2-13(3-7-16)10-14-11-18-12-19-14/h2-9,11-12H,10H2,1H3,(H,18,19)
InChI Key:
RIKSEBFEVCCFNA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccc(cc1)Cc1c[nH]cn1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Discovery and SAR development of 2-(phenylamino) imidazolines as prostacyclin receptor antagonists [corrected]. | Bioorganic & medicinal chemistry letters 20040223 |
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