O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)cc1F
SMILES: O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)cc1F

Molecular Processing

Molecular formula
C24H19ClF2N4O3S2
Molecular weight
549.02
Exact mass
548.0555
XLogP
5.94
TPSA
84.42
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
133.93

Supplementary Information

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