الاسم: 4-methanesulfonyloxy-5-methoxy-7-(1-(tert-butoxycarbonyl)indol-2-yl)isoindolinone
SMILES:
COc1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c2c(c1OS(C)(=O)=O)CNC2=OMolecular Processing
Molecular formula
C23H24N2O7S
Molecular weight
472.52
Exact mass
472.1304
XLogP
3.68
TPSA
112.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
122.2
Supplementary Information
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