이름: tert.butyl 4'-[(2-n-butylthio-benzimidazol-1-yl)-methyl]biphenyl-2-carboxylate
SMILES:
CCCCSc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C29H32N2O2S
Molecular weight
472.65
Exact mass
472.2184
XLogP
7.6
TPSA
44.12
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
141.51
Supplementary Information
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