SMILES:
CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2CC#N)cc1)C(F)(F)FMolecular Processing
Molecular formula
C19H20F3N3O3S2
Molecular weight
459.52
Exact mass
459.0898
XLogP
3.31
TPSA
84.64
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
106.51
Supplementary Information
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