الاسم: title compound
SMILES:
CC(C)C(=O)NCc1cc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c(Cl)cc1FMolecular Processing
Molecular formula
C20H17ClF4N4O2
Molecular weight
456.83
Exact mass
456.0976
XLogP
4.31
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
106.28
Supplementary Information
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