COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc(C#N)cc2OCCO)c1
Nombre: 4-tert-butyl-N-[5-cyano-3-(2-hydroxy-ethoxy)-2-(3-methoxy-phenoxy)-phenyl]-benzenesulphonamide
SMILES: COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc(C#N)cc2OCCO)c1

Molecular Processing

Molecular formula
C26H28N2O6S
Molecular weight
496.59
Exact mass
496.1668
XLogP
4.83
TPSA
117.88
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
132.76

Supplementary Information

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