SMILES:
O=c1ncc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc2n1C1CCCC1Molecular Processing
Molecular formula
C22H26N6O2
Molecular weight
406.49
Exact mass
406.2117
XLogP
3.01
TPSA
96.17
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
116.28
Supplementary Information
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