CS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCN(c4cnc(C(F)(F)F)nc4)CC3)C2=O)c(F)c1
SMILES: CS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCN(c4cnc(C(F)(F)F)nc4)CC3)C2=O)c(F)c1

Molecular Processing

Molecular formula
C21H23F4N5O3S
Molecular weight
501.51
Exact mass
501.1458
XLogP
2.72
TPSA
95.5
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
115.52

Supplementary Information

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