COC(=O)c1ccc(C=CC2CC(NS(=O)(=O)c3ccc(Cl)cc3)CN2C(=O)OC(C)(C)C)cc1
SMILES: COC(=O)c1ccc(C=CC2CC(NS(=O)(=O)c3ccc(Cl)cc3)CN2C(=O)OC(C)(C)C)cc1

Molecular Processing

Molecular formula
C25H29ClN2O6S
Molecular weight
521.04
Exact mass
520.1435
XLogP
4.5
TPSA
102.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
133.72

Supplementary Information

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