Cc1cc(S(N)(=O)=O)ccc1CNc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1
SMILES: Cc1cc(S(N)(=O)=O)ccc1CNc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1

Molecular Processing

Molecular formula
C25H22F4N6O2S
Molecular weight
546.55
Exact mass
546.1461
XLogP
4.91
TPSA
122.89
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
134.25

Supplementary Information

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