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ZINC00411450,BAS 01370813,2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-yls

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摘 要:ZINC00411450,BAS 01370813,2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide, 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide,Canonical SMILES: C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)N)Br,InChI: InChI=1/C10H8BrN3O2S/c11-7-3-1-6(2-4-7
[Synonyms]
ZINC00411450
BAS 01370813
2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide

[Structure]
ZINC00411450,BAS 01370813,2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-yls

[ Properties Computed from Structure]
Molecular Weight314.15842 [g/mol]
Molecular FormulaC10H8BrN3O2S
XLogP2.8
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count2
Exact Mass312.95206
MonoIsotopic Mass312.95206
Topological Polar Surface Area82
Heavy Atom Count17
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Canonical SMILES: C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)N)Br
InChI: InChI=1/C10H8BrN3O2S/c11-7-3-1-6(2-4-7)9-13-14-10(16-9)17-5-8(12)15/h1-
4H,5H2,(H2,12,15)/f/h12H2

 
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