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137684-81-2 | 1H-Imidazole, 2-[(3,3-diethoxypropyl)thio]-4,5-diphenyl-
CAS No: 137684-81-2 Catalog No: AG0013QV MDL No:
Product Description
Catalog Number:
AG0013QV
Chemical Name:
1H-Imidazole, 2-[(3,3-diethoxypropyl)thio]-4,5-diphenyl-
CAS Number:
137684-81-2
Molecular Formula:
C22H26N2O2S
Molecular Weight:
382.5190
IUPAC Name:
2-(3,3-diethoxypropylsulfanyl)-4,5-diphenyl-1H-imidazole
InChI:
InChI=1S/C22H26N2O2S/c1-3-25-19(26-4-2)15-16-27-22-23-20(17-11-7-5-8-12-17)21(24-22)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,23,24)
InChI Key:
DPSOBGLGMJUMOF-UHFFFAOYSA-N
SMILES:
CCOC(CCSc1nc(c([nH]1)c1ccccc1)c1ccccc1)OCC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.171g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.522g/mol
Monoisotopic Mass:
382.171g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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