SMILES:
Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2NC(C)C)ccc1NS(C)(=O)=OMolecular Processing
Molecular formula
C21H25F3N4O3S
Molecular weight
470.52
Exact mass
470.1599
XLogP
3.93
TPSA
100.19
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
118.52
Supplementary Information
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