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Oprea1_189766,ZINC00031572,ST019155, N-(4-methoxyphenyl)-2-[(5-methyl-

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摘 要:Oprea1_189766,ZINC00031572,ST019155, N-(4-methoxyphenyl)-2-[(5-methyl-1,3,,4-thiadiazol-2-yl)sulfanyl]acetamide,Canonical SMILES: CC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)OC,InChI: InChI=1/C12H13N3O2S2/c1-8-14-15-12(19-8)18-7-11(16)13-9-3-5-10(17-2)6-4-,9/h3
[Synonyms]
Oprea1_189766
ZINC00031572
ST019155

[Structure]
Oprea1_189766,ZINC00031572,ST019155, N-(4-methoxyphenyl)-2-[(5-methyl-

[ Properties Computed from Structure]
Molecular Weight295.38052 [g/mol]
Molecular FormulaC12H13N3O2S2
XLogP2.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass295.044918
MonoIsotopic Mass295.044918
Topological Polar Surface Area64.1
Heavy Atom Count19
Formal Charge0
Complexity299
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-(4-methoxyphenyl)-2-[(5-methyl-1,3,
4-thiadiazol-2-yl)sulfanyl]acetamide
Canonical SMILES: CC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)OC
InChI: InChI=1/C12H13N3O2S2/c1-8-14-15-12(19-8)18-7-11(16)13-9-3-5-10(17-2)6-4-
9/h3-6H,7H2,1-2H3,(H,13,16)/f/h13H

 
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