C[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2-n2nccn2)[C@@H]1CNc1ncc(C(F)(F)F)cn1
SMILES: C[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2-n2nccn2)[C@@H]1CNc1ncc(C(F)(F)F)cn1

Molecular Processing

Molecular formula
C22H21F3N8O
Molecular weight
470.46
Exact mass
470.179
XLogP
3.3
TPSA
112.62
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
114.82

Supplementary Information

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