SMILES:
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccc1S(C)(=O)=OMolecular Processing
Molecular formula
C23H19FN6O2S
Molecular weight
462.51
Exact mass
462.1274
XLogP
3.86
TPSA
134.65
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
123.44
Supplementary Information
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