CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCC(=O)O)C1
SMILES: CC(C)N(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCC(=O)O)C1

Molecular Processing

Molecular formula
C23H34N6O5
Molecular weight
474.56
Exact mass
474.2591
XLogP
2.18
TPSA
137.85
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
34
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
0.739
Molar refractivity
122.69

Supplementary Information

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