Nc1ncnn2c(CN3CCOCC3)c(CF)c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccn4)c(F)c3)c12
Name: title compound
SMILES: Nc1ncnn2c(CN3CCOCC3)c(CF)c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccn4)c(F)c3)c12

Molecular Processing

Molecular formula
C25H23F5N8O2
Molecular weight
562.5
Exact mass
562.1864
XLogP
4.48
TPSA
122.7
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
135.58

Supplementary Information

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