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332114-23-5 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS No: 332114-23-5 Catalog No: AG01EV2T MDL No:
Product Description
Catalog Number:
AG01EV2T
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS Number:
332114-23-5
Molecular Formula:
C16H11BrN4O4S
Molecular Weight:
435.2519
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C16H11BrN4O4S/c17-13-7-2-1-6-12(13)15-19-20-16(25-15)26-9-14(22)18-10-4-3-5-11(8-10)21(23)24/h1-8H,9H2,(H,18,22)
InChI Key:
UXKKCDZNLVDBGJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.968g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.252g/mol
Monoisotopic Mass:
433.968g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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