SMILES:
Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C)nc3)cc(C(O)C(F)(F)F)c2)c(C#N)c1Molecular Processing
Molecular formula
C25H22F3N3O2
Molecular weight
453.46
Exact mass
453.1664
XLogP
5.32
TPSA
86.01
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
117.2
Supplementary Information
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