SMILES:
CC(=O)c1ccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc4)cc3)c(C)c2c1OMolecular Processing
Molecular formula
C29H28N2O8S
Molecular weight
564.62
Exact mass
564.1566
XLogP
4.96
TPSA
163.01
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
149.03
Supplementary Information
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