SMILES:
CN1CCN(C2CCC(n3nc(-c4ccc(O)cc4)c4c(N)ncnc43)CC2)CC1Molecular Processing
Molecular formula
C22H29N7O
Molecular weight
407.52
Exact mass
407.2434
XLogP
2.51
TPSA
96.33
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
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
0.5
Molar refractivity
117.2
Supplementary Information
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