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Home > Imidazoles > 81527-42-6
81527-42-6 | 1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(2-thienylsulfonyl)-
CAS No: 81527-42-6 Catalog No: AG005K7O MDL No:
Product Description
Catalog Number:
AG005K7O
Chemical Name:
1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(2-thienylsulfonyl)-
CAS Number:
81527-42-6
Molecular Formula:
C21H18N2O4S2
Molecular Weight:
426.5086
IUPAC Name:
4,5-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfonyl-1H-imidazole
InChI:
InChI=1S/C21H18N2O4S2/c1-26-16-9-5-14(6-10-16)19-20(15-7-11-17(27-2)12-8-15)23-21(22-19)29(24,25)18-4-3-13-28-18/h3-13H,1-2H3,(H,22,23)
InChI Key:
KLVIRYYDUHDKJC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)S(=O)(=O)c1cccs1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.071g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.505g/mol
Monoisotopic Mass:
426.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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