SMILES:
CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2Cn2ccnc2)cc1)C(F)(F)FMolecular Processing
Molecular formula
C21H23F3N4O3S2
Molecular weight
500.57
Exact mass
500.1164
XLogP
3.29
TPSA
78.67
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
118.51
Supplementary Information
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