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STK075682,ZINC00324202,BAS 00436498,5-Phenyl-3-(p-tolylamino-methyl)-3

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摘 要:STK075682,ZINC00324202,BAS 00436498,5-Phenyl-3-(p-tolylamino-methyl)-3H-[1,3,4]oxadiazole-2-thione, 3-[[(4-methylphenyl)amino]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione,Canonical SMILES: CC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=CC=C3,InChI: InChI=1/C16H15
[Synonyms]
STK075682
ZINC00324202
BAS 00436498
5-Phenyl-3-(p-tolylamino-methyl)-3H-[1,3,4]oxadiazole-2-thione

[Structure]
STK075682,ZINC00324202,BAS 00436498,5-Phenyl-3-(p-tolylamino-methyl)-3

[ Properties Computed from Structure]
Molecular Weight297.3748 [g/mol]
Molecular FormulaC16H15N3OS
XLogP4.5
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass297.093583
MonoIsotopic Mass297.093583
Topological Polar Surface Area36.9
Heavy Atom Count21
Formal Charge0
Complexity398
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: 3-[[(4-methylphenyl)amino]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
Canonical SMILES: CC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=CC=C3
InChI: InChI=1/C16H15N3OS/c1-12-7-9-14(10-8-12)17-11-19-16(21)20-15(18-19)13-5-
3-2-4-6-13/h2-10,17H,11H2,1H3

 
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