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STOCK5S-37488,ZINC02215698,BAS 10122131,6-Phenyl-3-pyridin-4-yl-[1,2,4

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摘 要:STOCK5S-37488,ZINC02215698,BAS 10122131,6-Phenyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine, 6-phenyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine,Canonical SMILES: C1=CC=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=NC=C5,InChI: InChI=1/C20H13N5
[Synonyms]
STOCK5S-37488
ZINC02215698
BAS 10122131
6-Phenyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine

[Structure]
STOCK5S-37488,ZINC02215698,BAS 10122131,6-Phenyl-3-pyridin-4-yl-[1,2,4

[ Properties Computed from Structure]
Molecular Weight323.35072 [g/mol]
Molecular FormulaC20H13N5
XLogP4.1
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count2
Exact Mass323.117095
MonoIsotopic Mass323.117095
Topological Polar Surface Area56
Heavy Atom Count25
Formal Charge0
Complexity445
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: 6-phenyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine
Canonical SMILES: C1=CC=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=NC=C5
InChI: InChI=1/C20H13N5/c1-2-6-14(7-3-1)18-16-8-4-5-9-17(16)20-23-22-19(25(20)
24-18)15-10-12-21-13-11-15/h1-13H

 
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