이름: 1-[(4-methylphenyl)sulphonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILES:
Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)ccnc32)cc1Molecular Processing
Molecular formula
C20H23BN2O4S
Molecular weight
398.29
Exact mass
398.1472
XLogP
2.88
TPSA
70.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
109.21
Supplementary Information
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