CC1=C(C#N)C(c2ccc(C#N)cc2S(=O)(=O)Cc2ccccc2)N(C)C(=O)N1c1cccc(C(F)(F)F)c1
SMILES: CC1=C(C#N)C(c2ccc(C#N)cc2S(=O)(=O)Cc2ccccc2)N(C)C(=O)N1c1cccc(C(F)(F)F)c1

Molecular Processing

Molecular formula
C28H21F3N4O3S
Molecular weight
550.56
Exact mass
550.1286
XLogP
5.96
TPSA
105.27
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
136.62

Supplementary Information

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