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332164-70-2 | N-(3-Nitro-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 332164-70-2 Catalog No: AG01F4RD MDL No:
Product Description
Catalog Number:
AG01F4RD
Chemical Name:
N-(3-Nitro-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
332164-70-2
Molecular Formula:
C17H14N4O4S
Molecular Weight:
370.3825
IUPAC Name:
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C17H14N4O4S/c1-11-5-7-12(8-6-11)16-19-20-17(25-16)26-10-15(22)18-13-3-2-4-14(9-13)21(23)24/h2-9H,10H2,1H3,(H,18,22)
InChI Key:
KFQDLNPXJGNMEU-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc(o1)c1ccc(cc1)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.074g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.383g/mol
Monoisotopic Mass:
370.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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