Nombre: 3-[6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-benzoimidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1C2CCC(C2)C1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1Molecular Processing
Molecular formula
C24H34BN3O4
Molecular weight
439.37
Exact mass
439.2642
XLogP
4.32
TPSA
76.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
123.75
Supplementary Information
Obteniendo detalles…
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