SMILES:
[N-]=[N+]=NCO[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1COMolecular Processing
Molecular formula
C18H18N8O4
Molecular weight
410.39
Exact mass
410.1451
XLogP
2.01
TPSA
160.15
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
104.22
Supplementary Information
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