Name: 3-((4-amino-3-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
SMILES:
COc1cccc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)c1Molecular Processing
Molecular formula
C30H26N6O2
Molecular weight
502.58
Exact mass
502.2117
XLogP
5.05
TPSA
100.85
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
38
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
149.84
Supplementary Information
Details werden geladen…
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