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ZINC00937467,NCGC00100774-01,T5890422, N-(4-methylphenyl)-2-[(5-phenyl

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摘 要:ZINC00937467,NCGC00100774-01,T5890422, N-(4-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[3,2-d][1,2,,4]triazol-3-yl)sulfanyl]acetamide,Canonical SMILES: CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4,InChI: InChI=1/C19H16N4OS2/c1-13-7-9-15(10-8-13)20
[Synonyms]
ZINC00937467
NCGC00100774-01
T5890422

[Structure]
ZINC00937467,NCGC00100774-01,T5890422, N-(4-methylphenyl)-2-[(5-phenyl

[ Properties Computed from Structure]
Molecular Weight380.48654 [g/mol]
Molecular FormulaC19H16N4OS2
XLogP5.7
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass380.076553
MonoIsotopic Mass380.076553
Topological Polar Surface Area59.3
Heavy Atom Count26
Formal Charge0
Complexity480
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-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[3,2-d][1,2,
4]triazol-3-yl)sulfanyl]acetamide
Canonical SMILES: CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4
InChI: InChI=1/C19H16N4OS2/c1-13-7-9-15(10-8-13)20-17(24)12-26-19-22-21-18-23
(19)16(11-25-18)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,24)/f/h20H

 
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