الاسم: 6-((8-bromo-7-(4-chlorophenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-2(3H)-yl)methyl)nicotinonitrile
SMILES:
Cc1cc(-c2ccc(Cl)cc2)c(Br)c2nn(Cc3ccc(C#N)cn3)c(=O)n12Molecular Processing
Molecular formula
C20H13BrClN5O
Molecular weight
454.72
Exact mass
452.9992
XLogP
4.2
TPSA
75.98
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
110.39
Supplementary Information
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