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Home > Imidazoles > 81527-39-1
81527-39-1 | 1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfinyl)-
CAS No: 81527-39-1 Catalog No: AG005K7P MDL No:
Product Description
Catalog Number:
AG005K7P
Chemical Name:
1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfinyl)-
CAS Number:
81527-39-1
Molecular Formula:
C23H20N2O3S
Molecular Weight:
404.4815
IUPAC Name:
2-(benzenesulfinyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
InChI:
InChI=1S/C23H20N2O3S/c1-27-18-12-8-16(9-13-18)21-22(17-10-14-19(28-2)15-11-17)25-23(24-21)29(26)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,24,25)
InChI Key:
BOHQVTKZPPPCEK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)S(=O)c1ccccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.119g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.484g/mol
Monoisotopic Mass:
404.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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