SMILES:
COc1cc(CSC(=S)N(C)C)nc(NC(=O)NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1Molecular Processing
Molecular formula
C18H24N6O6S4
Molecular weight
548.69
Exact mass
548.064
XLogP
1.33
TPSA
150.9
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
34
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
132.82
Supplementary Information
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