Name: (S)-tert-butyl 3-methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylsulfonyl)piperazine-1-carboxylate
SMILES:
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Molecular Processing
Molecular formula
C22H35BN2O6S
Molecular weight
466.41
Exact mass
466.2309
XLogP
2.62
TPSA
85.38
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
123.32
Supplementary Information
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