c1cc2nc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)cnc2cc1-c1ccc2nc([C@@H]3C[C@H]4C[C@H]4N3)[nH]c2c1
SMILES: c1cc2nc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)cnc2cc1-c1ccc2nc([C@@H]3C[C@H]4C[C@H]4N3)[nH]c2c1

Molecular Processing

Molecular formula
C28H26N8
Molecular weight
474.57
Exact mass
474.228
XLogP
4.41
TPSA
107.2
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
36
Rings
9
Aromatic rings
5
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
136.98

Supplementary Information

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