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333777-99-4 | N-(2,4-Dibromo-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 333777-99-4 Catalog No: AG01F4FB MDL No:
Product Description
Catalog Number:
AG01F4FB
Chemical Name:
N-(2,4-Dibromo-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
333777-99-4
Molecular Formula:
C16H11Br2N3O2S
Molecular Weight:
469.1504
IUPAC Name:
N-(2,4-dibromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
InChI:
InChI=1S/C16H11Br2N3O2S/c17-11-6-7-13(12(18)8-11)19-14(22)9-24-16-21-20-15(23-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)
InChI Key:
WJGGFKMYBOASMZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1Br)Br)CSc1nnc(o1)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.892g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
469.151g/mol
Monoisotopic Mass:
466.894g/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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