Name: 3′-[4-(4-chloro-3-methyl-phenyl)-6-methyl-pyrimidin-2-yl]-biphenyl-3-sulfonic acid tert-butylamide
SMILES:
Cc1cc(-c2ccc(Cl)c(C)c2)nc(-c2cccc(-c3cccc(S(=O)(=O)NC(C)(C)C)c3)c2)n1Molecular Processing
Molecular formula
C28H28ClN3O2S
Molecular weight
506.07
Exact mass
505.1591
XLogP
6.82
TPSA
71.95
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
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
0.214
Molar refractivity
142.9
Supplementary Information
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