SMILES:
CC(Nc1nc(N)ncc1C#N)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1Molecular Processing
Molecular formula
C26H22N8O
Molecular weight
462.52
Exact mass
462.1917
XLogP
3.81
TPSA
127.44
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.115
Molar refractivity
134.94
Supplementary Information
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