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Home > Imidazoles > 89440-57-3
89440-57-3 | 1H-Imidazole, 1-[1-[(4-ethoxyphenyl)thio]-2-methyl-2-phenylpropyl]-
CAS No: 89440-57-3 Catalog No: AG0043S9 MDL No:
Product Description
Catalog Number:
AG0043S9
Chemical Name:
1H-Imidazole, 1-[1-[(4-ethoxyphenyl)thio]-2-methyl-2-phenylpropyl]-
CAS Number:
89440-57-3
Molecular Formula:
C21H24N2OS
Molecular Weight:
352.4931
IUPAC Name:
1-[1-(4-ethoxyphenyl)sulfanyl-2-methyl-2-phenylpropyl]imidazole
InChI:
InChI=1S/C21H24N2OS/c1-4-24-18-10-12-19(13-11-18)25-20(23-15-14-22-16-23)21(2,3)17-8-6-5-7-9-17/h5-16,20H,4H2,1-3H3
InChI Key:
SRSXIPWTQNZVMP-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)SC(C(c1ccccc1)(C)C)n1cncc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.161g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.496g/mol
Monoisotopic Mass:
352.161g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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