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ZINC00882410 N-cyclopentyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,,4-oxadiazo

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摘 要:ZINC00882410 N-cyclopentyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]acetamide,Canonical SMILES: COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)NC3CCCC3)OC,InChI: InChI=1/C17H21N3O4S/c1-22-13-8-7-11(9-14(13)23-2)16-19-20-17(24-16)25-,10-15(21)18-
[Synonyms]
ZINC00882410
[Structure]
ZINC00882410 N-cyclopentyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,,4-oxadiazo

[ Properties Computed from Structure]
Molecular Weight363.43134 [g/mol]
Molecular FormulaC17H21N3O4S
XLogP3.4
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count2
Exact Mass363.125277
MonoIsotopic Mass363.125277
Topological Polar Surface Area86.5
Heavy Atom Count25
Formal Charge0
Complexity436
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: N-cyclopentyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]acetamide
Canonical SMILES: COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)NC3CCCC3)OC
InChI: InChI=1/C17H21N3O4S/c1-22-13-8-7-11(9-14(13)23-2)16-19-20-17(24-16)25-
10-15(21)18-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,18,21)/f/h18H

 
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