名称: tert-butyl 2-(6-chloro-5-(2′-hydroxybiphenyl-4-yl)-1H-benzo[d]imidazol-2-ylthio)acetate
SMILES:
CC(C)(C)OC(=O)CSc1nc2cc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1Molecular Processing
Molecular formula
C25H23ClN2O3S
Molecular weight
466.99
Exact mass
466.1118
XLogP
6.69
TPSA
75.21
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
130.21
Supplementary Information
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