CC(C)C(O)(c1ccc(B(O)O)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
الاسم: [4-[1-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]phenyl]boronic acid
SMILES: CC(C)C(O)(c1ccc(B(O)O)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

Molecular Processing

Molecular formula
C32H31BN2O3
Molecular weight
502.42
Exact mass
502.2428
XLogP
4.3
TPSA
78.51
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.156
Molar refractivity
150.94

Supplementary Information

InChIKey: QFJCBOFOYAROIC-UHFFFAOYSA-N
مرادفات
SCHEMBL5688379QFJCBOFOYAROIC-UHFFFAOYSA-N4-[1-hydroxy-2-methyl-1-(1-trityl-1H-imidazol-4-yl)propyl]phenylboronic acid
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