O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2cnc(-c3cccc(F)c3)cc2-c2cccnc2)cc1F
SMILES: O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2cnc(-c3cccc(F)c3)cc2-c2cccnc2)cc1F

Molecular Processing

Molecular formula
C25H15F3N4O3S2
Molecular weight
540.55
Exact mass
540.0538
XLogP
6.28
TPSA
94.07
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0
Molar refractivity
132.22

Supplementary Information

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