CN1CC(n2nccc2-c2cc(-c3ccccc3C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)C1
SMILES: CN1CC(n2nccc2-c2cc(-c3ccccc3C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)C1

Molecular Processing

Molecular formula
C28H21ClF4N6O3S2
Molecular weight
665.09
Exact mass
664.0741
XLogP
6.96
TPSA
102.24
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
44
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
156.84

Supplementary Information

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