Name: N1-[4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-fluoro-4-trifluoromethylbenzamide
SMILES:
COc1cc(-c2n[nH]c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1FMolecular Processing
Molecular formula
C20H14F4N6O2
Molecular weight
446.36
Exact mass
446.1114
XLogP
4.02
TPSA
118.81
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
107.44
Supplementary Information
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