CCOC(=O)CN1CCN(S(=O)(=O)Nc2cc(OC)nc(SCc3cccc(F)c3F)n2)CC1
SMILES: CCOC(=O)CN1CCN(S(=O)(=O)Nc2cc(OC)nc(SCc3cccc(F)c3F)n2)CC1

Molecular Processing

Molecular formula
C20H25F2N5O5S2
Molecular weight
517.58
Exact mass
517.1265
XLogP
1.89
TPSA
113.96
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
34
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
0.45
Molar refractivity
121.69

Supplementary Information

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