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482614-89-1 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2,4,6-trimethyl-phenyl)-acetamide
CAS No: 482614-89-1 Catalog No: AG01EW4H MDL No:
Product Description
Catalog Number:
AG01EW4H
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2,4,6-trimethyl-phenyl)-acetamide
CAS Number:
482614-89-1
Molecular Formula:
C19H18BrN3O2S
Molecular Weight:
432.3341
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
InChI:
InChI=1S/C19H18BrN3O2S/c1-11-8-12(2)17(13(3)9-11)21-16(24)10-26-19-23-22-18(25-19)14-6-4-5-7-15(14)20/h4-9H,10H2,1-3H3,(H,21,24)
InChI Key:
VSMNQWGXARUGCA-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.03g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.336g/mol
Monoisotopic Mass:
431.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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