SMILES:
C[C@@H]1N[C@@H]([C@@H](OCc2ccccc2)[C@H](Cc2cc(F)cc(F)c2)N(Cc2ccccc2)Cc2ccccc2)CO[C@H]1OCC1(F)CCCCC1Molecular Processing
Molecular formula
C42H49F3N2O3
Molecular weight
686.86
Exact mass
686.3695
XLogP
8.56
TPSA
42.96
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
50
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
190
Supplementary Information
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