SMILES:
CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2cc(F)ccc2F)=CC1=OMolecular Processing
Molecular formula
C22H26F2N4O5
Molecular weight
464.47
Exact mass
464.1871
XLogP
1.67
TPSA
116.92
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
113.97
Supplementary Information
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