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ZINC00882284,BAS 03574700,ZU-4187823,1-(2,3-Dihydro-indol-1-yl)-2-(5-o

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摘 要:ZINC00882284,BAS 03574700,ZU-4187823,1-(2,3-Dihydro-indol-1-yl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone, 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-methylphenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]ethanone,Canonical SMILES: CC1=CC=CC=C1C2=NN=C(O2)SC
[Synonyms]
ZINC00882284
BAS 03574700
ZU-4187823
1-(2,3-Dihydro-indol-1-yl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone

[Structure]
ZINC00882284,BAS 03574700,ZU-4187823,1-(2,3-Dihydro-indol-1-yl)-2-(5-o

[ Properties Computed from Structure]
Molecular Weight351.42218 [g/mol]
Molecular FormulaC19H17N3O2S
XLogP4.5
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass351.104147
MonoIsotopic Mass351.104147
Topological Polar Surface Area59.2
Heavy Atom Count25
Formal Charge0
Complexity478
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: 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-methylphenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]ethanone
Canonical SMILES: CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)N3CCC4=CC=CC=C43
InChI: InChI=1/C19H17N3O2S/c1-13-6-2-4-8-15(13)18-20-21-19(24-18)25-12-17(23)
22-11-10-14-7-3-5-9-16(14)22/h2-9H,10-12H2,1H3

 
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