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Oprea1_285711,MLS000529476,ZINC00881516,ASN 03433668,SMR000121951,N-(5

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摘 要:Oprea1_285711,MLS000529476,ZINC00881516,ASN 03433668,SMR000121951,N-(5-Furan-2-yl-[1,3,4]thiadiazol-2-yl)-2-(naphthalen-2-yloxy)-acetamide, N-(5-furan-2-yl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide,Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)OC
[Synonyms]
Oprea1_285711
MLS000529476
ZINC00881516
ASN 03433668
SMR000121951
N-(5-Furan-2-yl-[1,3,4]thiadiazol-2-yl)-2-(naphthalen-2-yloxy)-acetamide

[Structure]
Oprea1_285711,MLS000529476,ZINC00881516,ASN 03433668,SMR000121951,N-(5

[ Properties Computed from Structure]
Molecular Weight351.37912 [g/mol]
Molecular FormulaC18H13N3O3S
XLogP3.8
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count3
Exact Mass351.067762
MonoIsotopic Mass351.067762
Topological Polar Surface Area77.3
Heavy Atom Count25
Formal Charge0
Complexity467
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-(5-furan-2-yl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=NN=C(S3)C4=CC=CO4
InChI: InChI=1/C18H13N3O3S/c22-16(19-18-21-20-17(25-18)15-6-3-9-23-15)11-24-14-
8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,19,21,22)/f/h19H

 
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