COC(=O)CC(NS(=O)C(C)(C)C)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
SMILES: COC(=O)CC(NS(=O)C(C)(C)C)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

Molecular Processing

Molecular formula
C22H23F6NO5S
Molecular weight
527.48
Exact mass
527.1201
XLogP
5.34
TPSA
73.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
114.69

Supplementary Information

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