CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F
SMILES: CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F

Molecular Processing

Molecular formula
C21H16F4N4O2S
Molecular weight
464.44
Exact mass
464.093
XLogP
3.99
TPSA
76.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
112.59

Supplementary Information

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