SMILES:
C[C@@H]1CCCN1CCCOc1ccc(-n2cc(C(=O)N3CCOCC3)cn2)cc1FMolecular Processing
Molecular formula
C22H29FN4O3
Molecular weight
416.5
Exact mass
416.2224
XLogP
2.74
TPSA
59.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
110.63
Supplementary Information
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