SMILES:
O=S(=O)(Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1OC(F)(F)FMolecular Processing
Molecular formula
C22H15F3N4O3S
Molecular weight
472.45
Exact mass
472.0817
XLogP
5.41
TPSA
99.87
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.045
Molar refractivity
117.32
Supplementary Information
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