SMILES:
CCN(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCC(=O)O)C1Molecular Processing
Molecular formula
C22H32N6O5
Molecular weight
460.54
Exact mass
460.2434
XLogP
1.79
TPSA
137.85
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
118.1
Supplementary Information
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