Name: 2-(4,7-dimethoxy-5-acetylbenzofuran-6-yl)oxymethyl-4-isopropyl-6-methoxysaccharin
SMILES:
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1c(C(C)=O)c(OC)c3ccoc3c1OC)C2=OMolecular Processing
Molecular formula
C24H25NO9S
Molecular weight
503.53
Exact mass
503.125
XLogP
3.97
TPSA
121.58
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
125.26
Supplementary Information
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