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332100-33-1 | N-(4-Bromo-phenyl)-2-[5-(2-chloro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS No: 332100-33-1 Catalog No: AG01F3P6 MDL No:
Product Description
Catalog Number:
AG01F3P6
Chemical Name:
N-(4-Bromo-phenyl)-2-[5-(2-chloro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS Number:
332100-33-1
Molecular Formula:
C16H11BrClN3O2S
Molecular Weight:
424.6994
IUPAC Name:
N-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C16H11BrClN3O2S/c17-10-5-7-11(8-6-10)19-14(22)9-24-16-21-20-15(23-16)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,22)
InChI Key:
UGCXCZFXWSAJMM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)c1ccccc1Cl
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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