SMILES:
CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2Cn2ccc3cccnc32)cc1)C(F)(F)FMolecular Processing
Molecular formula
C25H25F3N4O3S2
Molecular weight
550.63
Exact mass
550.132
XLogP
4.45
TPSA
78.67
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
136.01
Supplementary Information
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