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Home > Imidazoles > 89440-11-9
89440-11-9 | 1H-Imidazole, 1-[1-[(4-methoxyphenyl)thio]-2-methyl-2-phenylpropyl]-
CAS No: 89440-11-9 Catalog No: AG0088KM MDL No:
Product Description
Catalog Number:
AG0088KM
Chemical Name:
1H-Imidazole, 1-[1-[(4-methoxyphenyl)thio]-2-methyl-2-phenylpropyl]-
CAS Number:
89440-11-9
Molecular Formula:
C20H22N2OS
Molecular Weight:
338.4665
IUPAC Name:
1-[1-(4-methoxyphenyl)sulfanyl-2-methyl-2-phenylpropyl]imidazole
InChI:
InChI=1S/C20H22N2OS/c1-20(2,16-7-5-4-6-8-16)19(22-14-13-21-15-22)24-18-11-9-17(23-3)10-12-18/h4-15,19H,1-3H3
InChI Key:
KVOLEMZKAHGUQU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SC(C(c1ccccc1)(C)C)n1cncc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.469g/mol
Monoisotopic Mass:
338.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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