CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2cccc(C(O)C(F)(F)F)c2)c1
SMILES: CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2cccc(C(O)C(F)(F)F)c2)c1

Molecular Processing

Molecular formula
C25H25F3N2O5S3
Molecular weight
586.68
Exact mass
586.0878
XLogP
6.42
TPSA
116.55
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
140.64

Supplementary Information

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