SMILES:
CCCCOc1ccc2c(c1)CCN(c1ccc(N3CC[C@@H](N(C)C(C)C)C3)c(F)c1)C2=OMolecular Processing
Molecular formula
C27H36FN3O2
Molecular weight
453.6
Exact mass
453.2792
XLogP
5.13
TPSA
36.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
132.14
Supplementary Information
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