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ZINC00882309,BAS 03574810,N-Benzyl-2-[5-(3-chloro-phenyl)-[1,3,4]oxadi

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摘 要:ZINC00882309,BAS 03574810,N-Benzyl-2-[5-(3-chloro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide, 2-[[5-(3-chlorophenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]-N-(phenylmethyl)acetamide,Canonical SMILES: C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Cl,In
[Synonyms]
ZINC00882309
BAS 03574810
N-Benzyl-2-[5-(3-chloro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide

[Structure]
ZINC00882309,BAS 03574810,N-Benzyl-2-[5-(3-chloro-phenyl)-[1,3,4]oxadi

[ Properties Computed from Structure]
Molecular Weight359.82996 [g/mol]
Molecular FormulaC17H14ClN3O2S
XLogP4.9
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count2
Exact Mass359.049525
MonoIsotopic Mass359.049525
Topological Polar Surface Area68
Heavy Atom Count24
Formal Charge0
Complexity409
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-(3-chlorophenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]-N-(phenylmethyl)acetamide
Canonical SMILES: C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Cl
InChI: InChI=1/C17H14ClN3O2S/c18-14-8-4-7-13(9-14)16-20-21-17(23-16)24-11-15
(22)19-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,22)/f/h19H

 
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