SMILES:
COCCNC1CCCc2c(ccc(Nc3ncc(Cl)c(NC4CCCCC4NS(C)(=O)=O)n3)c2OC)C1Molecular Processing
Molecular formula
C26H39ClN6O4S
Molecular weight
567.16
Exact mass
566.2442
XLogP
3.64
TPSA
126.5
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
151.27
Supplementary Information
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