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Oprea1_263614,Oprea1_334492,ZINC00922233,ASN 04363086, 2-[[5-[4-(dieth

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摘 要:Oprea1_263614,Oprea1_334492,ZINC00922233,ASN 04363086, 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,,4-oxadiazol-2-yl]sulfanyl]-N-[2-(phenoxy)phenyl]acetamide,Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4,InChI:
[Synonyms]
Oprea1_263614
Oprea1_334492
ZINC00922233
ASN 04363086

[Structure]
Oprea1_263614,Oprea1_334492,ZINC00922233,ASN 04363086, 2-[[5-[4-(dieth

[ Properties Computed from Structure]
Molecular Weight538.63844 [g/mol]
Molecular FormulaC26H26N4O5S2
XLogP5.5
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count11
Tautomer Count2
Exact Mass538.134461
MonoIsotopic Mass538.134461
Topological Polar Surface Area115
Heavy Atom Count37
Formal Charge0
Complexity808
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-[4-(diethylsulfamoyl)phenyl]-1,3,
4-oxadiazol-2-yl]sulfanyl]-N-[2-(phenoxy)phenyl]acetamide
Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4
InChI: InChI=1/C26H26N4O5S2/c1-3-30(4-2)37(32,
33)21-16-14-19(15-17-21)25-28-29-26(35-25)36-18-24(31)27-22-12-8-9-13-23
(22)34-20-10-6-5-7-11-20/h5-17H,3-4,18H2,1-2H3,(H,27,31)/f/h27H

 
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