SMILES:
CCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCOC(=O)NS(=O)(=O)c2ccccn2)cc1Molecular Processing
Molecular formula
C24H20ClF3N4O4S
Molecular weight
552.96
Exact mass
552.0846
XLogP
5.31
TPSA
103.18
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
130.07
Supplementary Information
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