CCOC(=O)CCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1
SMILES: CCOC(=O)CCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1

Molecular Processing

Molecular formula
C21H20F2N6O6S
Molecular weight
522.49
Exact mass
522.1133
XLogP
1.72
TPSA
175.37
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
121.44

Supplementary Information

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