CC1=C(C(=O)c2ccco2)C(c2ccc(C#N)cc2)N(CC(=O)NS(=O)(=O)CC(F)(F)F)C(=O)N1c1cccc(C(F)(F)F)c1
SMILES: CC1=C(C(=O)c2ccco2)C(c2ccc(C#N)cc2)N(CC(=O)NS(=O)(=O)CC(F)(F)F)C(=O)N1c1cccc(C(F)(F)F)c1

Molecular Processing

Molecular formula
C28H20F6N4O6S
Molecular weight
654.55
Exact mass
654.1008
XLogP
5.32
TPSA
140.79
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
45
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
143.65

Supplementary Information

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