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332101-22-1 | N-(2-Nitro-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 332101-22-1 Catalog No: AG01F4VU MDL No:
Product Description
Catalog Number:
AG01F4VU
Chemical Name:
N-(2-Nitro-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
332101-22-1
Molecular Formula:
C16H12N4O4S
Molecular Weight:
356.3559
IUPAC Name:
N-(2-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
InChI:
InChI=1S/C16H12N4O4S/c21-14(17-12-8-4-5-9-13(12)20(22)23)10-25-16-19-18-15(24-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,21)
InChI Key:
KWJLJHIYPANJAB-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])CSc1nnc(o1)c1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.058g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.356g/mol
Monoisotopic Mass:
356.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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