Name: 4′-[3-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-3-oxo-1-o-tolyl-propyl]-biphenyl-4-carboxylic acid
SMILES:
Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1Molecular Processing
Molecular formula
C29H25NO4
Molecular weight
451.52
Exact mass
451.1784
XLogP
5.46
TPSA
76.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.138
Molar refractivity
132.49
Supplementary Information
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