Name: 1-methyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-indole-2-carboxamide
SMILES:
Cn1c(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc2ccccc21Molecular Processing
Molecular formula
C22H25BN2O3
Molecular weight
376.27
Exact mass
376.1958
XLogP
3.73
TPSA
52.49
H-bond donors
1
H-bond acceptors
3
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
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
113.03
Supplementary Information
Details werden geladen…
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