Name: N1-[4-(4-amino-1-trityl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-fluoro-4-trifluoromethylbenzamide
SMILES:
COc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1FMolecular Processing
Molecular formula
C39H28F4N6O2
Molecular weight
688.69
Exact mass
688.221
XLogP
8.33
TPSA
107.95
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
51
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
185.68
Supplementary Information
Details werden geladen…
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