Name: 2-Butoxy-8-methoxy-9-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-9H-purin-6-amine
SMILES:
CCCCOc1nc(N)c2nc(OC)n(CCC3CCOCC3)c2n1Molecular Processing
Molecular formula
C17H27N5O3
Molecular weight
349.44
Exact mass
349.2114
XLogP
2.41
TPSA
97.31
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.706
Molar refractivity
94.85
Supplementary Information
Details werden geladen…
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