Name: 1,1-dimethylethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2CC1Molecular Processing
Molecular formula
C21H32BNO4
Molecular weight
373.3
Exact mass
373.2424
XLogP
3.32
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
107.37
Supplementary Information
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Involved in 8 reactions→