C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2OC2CCOC2)cc(F)c1NS(C)(=O)=O
SMILES: C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2OC2CCOC2)cc(F)c1NS(C)(=O)=O

Molecular Processing

Molecular formula
C23H21F4N3O5S
Molecular weight
527.5
Exact mass
527.1138
XLogP
3.09
TPSA
106.62
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
122.77

Supplementary Information

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