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332161-29-2 | 2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS No: 332161-29-2 Catalog No: AG01EV68 MDL No:
Product Description
Catalog Number:
AG01EV68
Chemical Name:
2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS Number:
332161-29-2
Molecular Formula:
C17H13BrN4O4S
Molecular Weight:
449.2785
IUPAC Name:
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
InChI:
InChI=1S/C17H13BrN4O4S/c1-10-2-7-13(8-14(10)22(24)25)19-15(23)9-27-17-21-20-16(26-17)11-3-5-12(18)6-4-11/h2-8H,9H2,1H3,(H,19,23)
InChI Key:
FPTBUOVWWMMFSL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(o1)c1ccc(cc1)Br
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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