SMILES:
CCN1CCc2ccc(Nc3ncc(Cl)c(NC4CCCCC4NS(C)(=O)=O)n3)cc2CC1Molecular Processing
Molecular formula
C23H33ClN6O2S
Molecular weight
493.08
Exact mass
492.2074
XLogP
3.57
TPSA
99.25
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
133.93
Supplementary Information
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