CSc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NS(=O)(=O)C2CC2)cc1
SMILES: CSc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NS(=O)(=O)C2CC2)cc1

Molecular Processing

Molecular formula
C26H26FN3O3S2
Molecular weight
511.64
Exact mass
511.14
XLogP
5.48
TPSA
73.22
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
137.16

Supplementary Information

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