名称: tert-butyl 9-(6-(4-aminophenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC2COCC(C1)N2c1nc(-c2ccc(N)cc2)nc2c1cnn2CC(F)(F)FMolecular Processing
Molecular formula
C24H28F3N7O3
Molecular weight
519.53
Exact mass
519.2206
XLogP
3.46
TPSA
111.63
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
129.91
Supplementary Information
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