Название: title compound
SMILES:
O=C(NCc1ccc(Cl)c(-c2nn(-c3ccc(C#CC4CC4)cc3F)c(=O)[nH]2)c1)C(F)(F)FMolecular Processing
Molecular formula
C22H15ClF4N4O2
Molecular weight
478.83
Exact mass
478.082
XLogP
3.96
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
112.09
Supplementary Information
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