SMILES:
C[C@@H]1N[C@@H]([C@H](OCc2ccccc2)[C@H](Cc2cc(F)cc(F)c2)N(Cc2ccccc2)Cc2ccccc2)CO[C@H]1OCC(C)(CF)CFMolecular Processing
Molecular formula
C40H46F4N2O3
Molecular weight
678.81
Exact mass
678.3445
XLogP
7.83
TPSA
42.96
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
17
Heavy atoms
49
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
183.13
Supplementary Information
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