Название: 2-(((2S,3R)-1-(2-iodo-5-methylbenzoyl)-3-methylpiperidin-2-yl)methyl)isoindoline-1,3-dione
SMILES:
Cc1ccc(I)c(C(=O)N2CCC[C@@H](C)[C@H]2CN2C(=O)c3ccccc3C2=O)c1Molecular Processing
Molecular formula
C23H23IN2O3
Molecular weight
502.35
Exact mass
502.0753
XLogP
4.14
TPSA
57.69
H-bond donors
0
H-bond acceptors
3
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
6
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
118.93
Supplementary Information
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