SMILES:
COC(=O)C1CC2(CN1C(=O)OCc1ccccc1)SCCS2Molecular Processing
Molecular formula
C16H19NO4S2
Molecular weight
353.47
Exact mass
353.0756
XLogP
2.75
TPSA
55.84
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
91.4
Supplementary Information
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