SMILES:
O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1FMolecular Processing
Molecular formula
C28H25F7N4O3
Molecular weight
598.52
Exact mass
598.1815
XLogP
5.74
TPSA
84.91
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
139.11
Supplementary Information
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