SMILES:
Nc1csc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c1Molecular Processing
Molecular formula
C17H17F6N3O3S2
Molecular weight
489.46
Exact mass
489.0616
XLogP
3.15
TPSA
86.87
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
102.15
Supplementary Information
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