O=C(NCc1ccc(Cl)c(-n2nc(-c3ccc(C#Cc4cccc(C(F)(F)F)c4)cc3F)[nH]c2=O)c1)C1CC1
Name: title compound
SMILES: O=C(NCc1ccc(Cl)c(-n2nc(-c3ccc(C#Cc4cccc(C(F)(F)F)c4)cc3F)[nH]c2=O)c1)C1CC1

Molecular Processing

Molecular formula
C28H19ClF4N4O2
Molecular weight
554.93
Exact mass
554.1133
XLogP
5.46
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
136.58

Supplementary Information

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