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Home > Nitro Compounds > 332922-51-7
332922-51-7 | 2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS No: 332922-51-7 Catalog No: AG01EVDA MDL No:
Product Description
Catalog Number:
AG01EVDA
Chemical Name:
2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS Number:
332922-51-7
Molecular Formula:
C18H16N4O4S
Molecular Weight:
384.4090
IUPAC Name:
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
InChI:
InChI=1S/C18H16N4O4S/c1-12-7-8-14(22(24)25)10-15(12)19-16(23)11-27-18-21-20-17(26-18)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,19,23)
InChI Key:
OKELQRSNDVBUAF-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(ccc1C)[N+](=O)[O-])CSc1nnc(o1)Cc1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.089g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.41g/mol
Monoisotopic Mass:
384.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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