이름: 2-bromo-1-[1-isobutyl-2-(3-methoxyphenyl)-1H-benzimidazol-5-yl]ethanone hydrochloride
SMILES:
COc1cccc(-c2nc3cc(C(=O)CBr)ccc3n2CC(C)C)c1.ClMolecular Processing
Molecular formula
C20H22BrClN2O2
Molecular weight
437.77
Exact mass
436.0553
XLogP
5.37
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
111.93
Supplementary Information
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