SMILES:
CC(=O)NCCNc1nc(-c2ccc(=O)n(C(C)C)n2)c(-c2ccccc2)nc1NMolecular Processing
Molecular formula
C21H25N7O2
Molecular weight
407.48
Exact mass
407.207
XLogP
2.08
TPSA
127.82
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
116.93
Supplementary Information
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