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81527-40-4 | 1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfonyl)-
CAS No: 81527-40-4 Catalog No: AG00590L MDL No:
Product Description
Catalog Number:
AG00590L
Chemical Name:
1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfonyl)-
CAS Number:
81527-40-4
Molecular Formula:
C23H20N2O4S
Molecular Weight:
420.4809
IUPAC Name:
2-(benzenesulfonyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
InChI:
InChI=1S/C23H20N2O4S/c1-28-18-12-8-16(9-13-18)21-22(17-10-14-19(29-2)15-11-17)25-23(24-21)30(26,27)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,24,25)
InChI Key:
VIFHVSISNHLARW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)S(=O)(=O)c1ccccc1
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.114g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.483g/mol
Monoisotopic Mass:
420.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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