이름: N-((1R,2S,3S,5R)-3-(((tert-butyldiphenylsilyl)oxy)methyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)-2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(N[C@@H]4[C@@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C[C@H]5C[C@@H]4C5(C)C)n3)c3cc(Cl)cnc32)cc1Molecular Processing
Molecular formula
C44H47ClFN5O3SSi
Molecular weight
808.5
Exact mass
807.2841
XLogP
8.87
TPSA
99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
56
Rings
9
Aromatic rings
6
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.341
Molar refractivity
223.96
Supplementary Information
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