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ZINC00882338 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[

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摘 要:ZINC00882338 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R,6R)-2,,6-dimethylpiperidin-1-yl]ethanone,Canonical SMILES: CC1CCCC(N1C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C,Isomeric SMILES: C[C@@H]1CCC[C@H](N1C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C
[Synonyms]
ZINC00882338
[Structure]
ZINC00882338 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[

[ Properties Computed from Structure]
Molecular Weight365.8776 [g/mol]
Molecular FormulaC17H20ClN3O2S
XLogP5.1
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass365.096475
MonoIsotopic Mass365.096475
Topological Polar Surface Area59.2
Heavy Atom Count24
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom StereoCenter Count2
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-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R,6R)-2,
6-dimethylpiperidin-1-yl]ethanone
Canonical SMILES: CC1CCCC(N1C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C
Isomeric SMILES: C[C@@H]1CCC[C@H](N1C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C
InChI: InChI=1/C17H20ClN3O2S/c1-11-4-3-5-12(2)21(11)15(22)10-24-17-20-19-16(23-
17)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12-/m1/s1

 
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