SMILES:
CC(C)c1ccccc1NC(=O)NCc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1Molecular Processing
Molecular formula
C27H24F5N5O2
Molecular weight
545.51
Exact mass
545.185
XLogP
6.91
TPSA
81.07
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
134.81
Supplementary Information
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