Name: 2-phenylthiomethyl-4-isopropyl-5,6-dimethoxysaccharin
SMILES:
COc1cc2c(c(C(C)C)c1OC)C(=O)N(CSc1ccccc1)S2(=O)=OMolecular Processing
Molecular formula
C19H21NO5S2
Molecular weight
407.51
Exact mass
407.0861
XLogP
3.72
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
104.16
Supplementary Information
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