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Home > Nitro Compounds > 332126-52-0
332126-52-0 | 2-[5-(2-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS No: 332126-52-0 Catalog No: AG01EV3D MDL No:
Product Description
Catalog Number:
AG01EV3D
Chemical Name:
2-[5-(2-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS Number:
332126-52-0
Molecular Formula:
C16H12N4O5S
Molecular Weight:
372.3553
IUPAC Name:
2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C16H12N4O5S/c21-13-4-2-1-3-12(13)15-18-19-16(25-15)26-9-14(22)17-10-5-7-11(8-6-10)20(23)24/h1-8,21H,9H2,(H,17,22)
InChI Key:
VHADPKLBQQWFHJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(o1)c1ccccc1O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.053g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.355g/mol
Monoisotopic Mass:
372.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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