COc1cc(CC2CN(Cc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OS(=O)(=O)C(F)(F)F
SMILES: COc1cc(CC2CN(Cc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OS(=O)(=O)C(F)(F)F

Molecular Processing

Molecular formula
C29H25F9N2O5S
Molecular weight
684.58
Exact mass
684.134
XLogP
6.53
TPSA
76.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
46
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
145.29

Supplementary Information

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