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337489-45-9 | N-(2-Bromo-4-nitro-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 337489-45-9 Catalog No: AG01F3WN MDL No:
Product Description
Catalog Number:
AG01F3WN
Chemical Name:
N-(2-Bromo-4-nitro-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
337489-45-9
Molecular Formula:
C17H13BrN4O4S
Molecular Weight:
449.2785
IUPAC Name:
N-(2-bromo-4-nitrophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C17H13BrN4O4S/c1-10-2-4-11(5-3-10)16-20-21-17(26-16)27-9-15(23)19-14-7-6-12(22(24)25)8-13(14)18/h2-8H,9H2,1H3,(H,19,23)
InChI Key:
MMERPSOKVOCLAF-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1Br)[N+](=O)[O-])CSc1nnc(o1)c1ccc(cc1)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.984g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.279g/mol
Monoisotopic Mass:
447.984g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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