Cn1cc(-c2cc(F)c3nnc(C(F)(F)c4ccc5ncc(OCCCN6CCOCC6)cc5c4)n3c2)cn1
SMILES: Cn1cc(-c2cc(F)c3nnc(C(F)(F)c4ccc5ncc(OCCCN6CCOCC6)cc5c4)n3c2)cn1

Molecular Processing

Molecular formula
C27H26F3N7O2
Molecular weight
537.55
Exact mass
537.21
XLogP
4.06
TPSA
82.6
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
137.26

Supplementary Information

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