SMILES:
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccc(OCC(=O)O)cc2)cc1Molecular Processing
Molecular formula
C31H33N3O7S
Molecular weight
591.69
Exact mass
591.2039
XLogP
5.47
TPSA
136.94
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
158.72
Supplementary Information
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