CC(Oc1ccc(S(=O)(=O)C2CC(C(=O)NC3(C#N)CC3)C(C(=O)N3CC(F)(F)C3)C2)c(Cl)c1)C(F)(F)F
SMILES: CC(Oc1ccc(S(=O)(=O)C2CC(C(=O)NC3(C#N)CC3)C(C(=O)N3CC(F)(F)C3)C2)c(Cl)c1)C(F)(F)F

Molecular Processing

Molecular formula
C23H23ClF5N3O5S
Molecular weight
583.96
Exact mass
583.0967
XLogP
3.49
TPSA
116.57
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
122.03

Supplementary Information

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