SMILES:
CC(O)C(=N)NS(=O)(=O)c1cc(C(=O)C(C(=O)c2cccc(F)c2)=C2Nc3ccccc3N2)ccc1FMolecular Processing
Molecular formula
C25H20F2N4O5S
Molecular weight
526.52
Exact mass
526.1122
XLogP
3.42
TPSA
148.45
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.08
Molar refractivity
131.9
Supplementary Information
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