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332161-93-0 | N-(4-Bromo-phenyl)-2-[5-(4-bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS No: 332161-93-0 Catalog No: AG01F3S9 MDL No:
Product Description
Catalog Number:
AG01F3S9
Chemical Name:
N-(4-Bromo-phenyl)-2-[5-(4-bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS Number:
332161-93-0
Molecular Formula:
C16H11Br2N3O2S
Molecular Weight:
469.1504
IUPAC Name:
N-(4-bromophenyl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C16H11Br2N3O2S/c17-11-3-1-10(2-4-11)15-20-21-16(23-15)24-9-14(22)19-13-7-5-12(18)6-8-13/h1-8H,9H2,(H,19,22)
InChI Key:
XZDWIKQITAKSSD-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)c1ccc(cc1)Br
Properties
Complexity:
416
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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