SMILES:
COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(SC)nc1OCCOMolecular Processing
Molecular formula
C21H24N4O6S2
Molecular weight
492.58
Exact mass
492.1137
XLogP
2.82
TPSA
131.9
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
125.29
Supplementary Information
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