Name: 5-[3-(4-bromo-phenyl)-3-o-tolyl-propionyl]-1-cyclopropylmethyl-1H-pyridin-2-one
SMILES:
Cc1ccccc1C(CC(=O)c1ccc(=O)n(CC2CC2)c1)c1ccc(Br)cc1Molecular Processing
Molecular formula
C25H24BrNO2
Molecular weight
450.38
Exact mass
449.099
XLogP
5.73
TPSA
39.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
119.54
Supplementary Information
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