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ZINC00937466,EU-0015929,T5890457, N-(4-methoxyphenyl)-2-[(5-phenyl-[1,

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摘 要:ZINC00937466,EU-0015929,T5890457, N-(4-methoxyphenyl)-2-[(5-phenyl-[1,3]thiazolo[3,2-d][1,2,,4]triazol-3-yl)sulfanyl]acetamide,Canonical SMILES: COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4,InChI: InChI=1/C19H16N4O2S2/c1-25-15-9-7-14(8-10-15)2
[Synonyms]
ZINC00937466
EU-0015929
T5890457

[Structure]
ZINC00937466,EU-0015929,T5890457, N-(4-methoxyphenyl)-2-[(5-phenyl-[1,

[ Properties Computed from Structure]
Molecular Weight396.48594 [g/mol]
Molecular FormulaC19H16N4O2S2
XLogP5.2
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass396.071467
MonoIsotopic Mass396.071467
Topological Polar Surface Area68.5
Heavy Atom Count27
Formal Charge0
Complexity498
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-phenyl-[1,3]thiazolo[3,2-d][1,2,
4]triazol-3-yl)sulfanyl]acetamide
Canonical SMILES: COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4
InChI: InChI=1/C19H16N4O2S2/c1-25-15-9-7-14(8-10-15)20-17(24)12-27-19-22-21-18-
23(19)16(11-26-18)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,24)/f/h20H

 
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