Name: 2-{5-[3-(4-bromo-phenyl)-3-o-tolyl-propionyl]-2-oxo-2H-pyridin-1-yl}-acetamide
SMILES:
Cc1ccccc1C(CC(=O)c1ccc(=O)n(CC(N)=O)c1)c1ccc(Br)cc1Molecular Processing
Molecular formula
C23H21BrN2O3
Molecular weight
453.34
Exact mass
452.0736
XLogP
3.81
TPSA
82.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
116.01
Supplementary Information
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