Nombre: 2-(((2S,3R)-1-(3-bromo-6-methylpicolinoyl)-3-methylpiperidin-2-yl)methyl)isoindoline-1,3-dione
SMILES:
Cc1ccc(Br)c(C(=O)N2CCC[C@@H](C)[C@H]2CN2C(=O)c3ccccc3C2=O)n1Molecular Processing
Molecular formula
C22H22BrN3O3
Molecular weight
456.34
Exact mass
455.0845
XLogP
3.69
TPSA
70.58
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
111.71
Supplementary Information
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