SMILES:
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C5CCNCC5)c4)ccc3F)c2)CCN1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C39H43FN4O3
Molecular weight
634.8
Exact mass
634.3319
XLogP
6.73
TPSA
73.91
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
47
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
182.36
Supplementary Information
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