Nombre: 2-[6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-benzoimidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1Molecular Processing
Molecular formula
C22H32BN3O4
Molecular weight
413.33
Exact mass
413.2486
XLogP
3.93
TPSA
76.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
116.72
Supplementary Information
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