Name: n-butyl 2-(1,1-dimethyl-2-methylsulfinylethylaminocarbonyl)benzoate
SMILES:
CCCCOC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)=OMolecular Processing
Molecular formula
C17H25NO4S
Molecular weight
339.46
Exact mass
339.1504
XLogP
2.53
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
92.11
Supplementary Information
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