SMILES:
CC(=O)Nc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1Molecular Processing
Molecular formula
C22H27N7O
Molecular weight
405.51
Exact mass
405.2277
XLogP
2.47
TPSA
79.18
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
117.21
Supplementary Information
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