Название: 2-(4-Methoxy-benzyl)-4-[2-(2-methoxy-ethoxy)-ethoxy]-isoindole-1,3-dione
SMILES:
COCCOCCOc1cccc2c1C(=O)N(Cc1ccc(OC)cc1)C2=OMolecular Processing
Molecular formula
C21H23NO6
Molecular weight
385.42
Exact mass
385.1525
XLogP
2.53
TPSA
74.3
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
101.83
Supplementary Information
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