الاسم: 4-(8-bromo-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzonitrile
SMILES:
Cc1nc(C(F)(F)F)ccc1Cn1nc2c(Br)c(-c3ccc(C#N)cc3)ccn2c1=OMolecular Processing
Molecular formula
C21H13BrF3N5O
Molecular weight
488.27
Exact mass
487.0256
XLogP
4.57
TPSA
75.98
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
110.38
Supplementary Information
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