SMILES:
CCN1CCCOc2cc(Nc3ncc(Cl)c(NC4CCCCC4NS(C)(=O)=O)n3)c(F)cc21Molecular Processing
Molecular formula
C22H30ClFN6O3S
Molecular weight
513.04
Exact mass
512.1773
XLogP
3.89
TPSA
108.48
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
132.37
Supplementary Information
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