Name: [2-(1,1-dimethylethoxy)-2-oxoethyl]thio-alpha-ethyl-benzeneacetic acid, methyl ester
SMILES:
CCC(C(=O)OC)c1ccccc1SCC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C17H24O4S
Molecular weight
324.44
Exact mass
324.1395
XLogP
3.79
TPSA
52.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
88.06
Supplementary Information
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