Cn1nc(C(F)(F)F)c(C(OC(=O)C(C)(C)C)=C(C#N)c2nc(C(C)(C)C)cs2)c1Cl
SMILES: Cn1nc(C(F)(F)F)c(C(OC(=O)C(C)(C)C)=C(C#N)c2nc(C(C)(C)C)cs2)c1Cl

Molecular Processing

Molecular formula
C20H22ClF3N4O2S
Molecular weight
474.94
Exact mass
474.1104
XLogP
5.83
TPSA
80.8
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
112.01

Supplementary Information

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Involved in 6 reactions→

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