Nombre: 5-methyl-7-neopentyl-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
SMILES:
Cn1c(=O)c2cn(Cc3ccc(-c4ccncc4)cc3)nc2n(CC(C)(C)C)c1=OMolecular Processing
Molecular formula
C23H25N5O2
Molecular weight
403.49
Exact mass
403.2008
XLogP
3.05
TPSA
74.71
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
117.46
Supplementary Information
Obteniendo detalles…
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