SMILES:
COc1cc(C(O)CN2CCN(CCc3ccc4c(c3C)COC4=O)CC2)c(F)cc1C#NMolecular Processing
Molecular formula
C25H28FN3O4
Molecular weight
453.51
Exact mass
453.2064
XLogP
2.58
TPSA
86.03
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
119.51
Supplementary Information
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