COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4ccc(C(C)=O)c(OC)c4c3C)cc2)cc1)C(C)C
SMILES: COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4ccc(C(C)=O)c(OC)c4c3C)cc2)cc1)C(C)C

Molecular Processing

Molecular formula
C31H32N2O8S
Molecular weight
592.67
Exact mass
592.1879
XLogP
5.35
TPSA
141.01
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
42
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
0.258
Molar refractivity
158.3

Supplementary Information

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