Название: tert-butyl 2-((2-cyano-6-(trifluoromethyl)quinolin-4-yl)amino)acetate
SMILES:
CC(C)(C)OC(=O)CNc1cc(C#N)nc2ccc(C(F)(F)F)cc12Molecular Processing
Molecular formula
C17H16F3N3O2
Molecular weight
351.33
Exact mass
351.1195
XLogP
3.88
TPSA
75.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
85.79
Supplementary Information
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