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336174-93-7 | 2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-chloro-phenyl)-acetamide
CAS No: 336174-93-7 Catalog No: AG01EVI1 MDL No:
Product Description
Catalog Number:
AG01EVI1
Chemical Name:
2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-chloro-phenyl)-acetamide
CAS Number:
336174-93-7
Molecular Formula:
C16H11BrClN3O2S
Molecular Weight:
424.6994
IUPAC Name:
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
InChI:
InChI=1S/C16H11BrClN3O2S/c17-11-6-4-10(5-7-11)15-20-21-16(23-15)24-9-14(22)19-13-3-1-2-12(18)8-13/h1-8H,9H2,(H,19,22)
InChI Key:
GJGKNBWIDXWFEV-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)CSc1nnc(o1)c1ccc(cc1)Br
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.944g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.697g/mol
Monoisotopic Mass:
422.944g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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