SMILES:
CC1COCCN1c1nc(-c2ccc(N)cc2)nc2c1CCN(c1ncccn1)C2Molecular Processing
Molecular formula
C22H25N7O
Molecular weight
403.49
Exact mass
403.2121
XLogP
2.3
TPSA
93.29
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
116.29
Supplementary Information
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