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332114-25-7 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-m-tolyl-acetamide
CAS No: 332114-25-7 Catalog No: AG01EV2V MDL No:
Product Description
Catalog Number:
AG01EV2V
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-m-tolyl-acetamide
CAS Number:
332114-25-7
Molecular Formula:
C17H14BrN3O2S
Molecular Weight:
404.2810
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
InChI:
InChI=1S/C17H14BrN3O2S/c1-11-5-4-6-12(9-11)19-15(22)10-24-17-21-20-16(23-17)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22)
InChI Key:
QCCLIALWXWUNSZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.999g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.282g/mol
Monoisotopic Mass:
402.999g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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