Название: 4-(2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-8-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzonitrile
SMILES:
Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccccc3)c(-c3ccc(C#N)cc3)ccn2c1=OMolecular Processing
Molecular formula
C27H18F3N5O
Molecular weight
485.47
Exact mass
485.1463
XLogP
5.47
TPSA
75.98
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
128.12
Supplementary Information
Загрузка подробностей…
Участвует в 6 реакциях→