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332101-53-8 | 2-(1-Benzoyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(2,6-dimethyl-phenyl)-acetamide
CAS No: 332101-53-8 Catalog No: AG01EV2K MDL No:
Product Description
Catalog Number:
AG01EV2K
Chemical Name:
2-(1-Benzoyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(2,6-dimethyl-phenyl)-acetamide
CAS Number:
332101-53-8
Molecular Formula:
C26H23N3O2S
Molecular Weight:
441.5447
IUPAC Name:
2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
InChI:
InChI=1S/C26H23N3O2S/c1-18-10-9-11-19(2)24(18)28-23(30)17-32-26-27-16-22(20-12-5-3-6-13-20)29(26)25(31)21-14-7-4-8-15-21/h3-16H,17H2,1-2H3,(H,28,30)
InChI Key:
QGKRFQLYUVFCKG-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C)cccc1C)CSc1ncc(n1C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.151g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.549g/mol
Monoisotopic Mass:
441.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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