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332909-70-3 | 2-[5-(4-Bromo-phenyl)-1H-imidazol-2-ylsulfanyl]-N-(3,5-dimethyl-phenyl)-acetamide
CAS No: 332909-70-3 Catalog No: AG01EVC9 MDL No:
Product Description
Catalog Number:
AG01EVC9
Chemical Name:
2-[5-(4-Bromo-phenyl)-1H-imidazol-2-ylsulfanyl]-N-(3,5-dimethyl-phenyl)-acetamide
CAS Number:
332909-70-3
Molecular Formula:
C19H18BrN3OS
Molecular Weight:
416.3347
IUPAC Name:
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
InChI:
InChI=1S/C19H18BrN3OS/c1-12-7-13(2)9-16(8-12)22-18(24)11-25-19-21-10-17(23-19)14-3-5-15(20)6-4-14/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChI Key:
DRSPFFLBVVRYQL-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(C)cc(c1)C)CSc1ncc([nH]1)c1ccc(cc1)Br
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.035g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.337g/mol
Monoisotopic Mass:
415.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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