SMILES:
C#CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(OC)OCMolecular Processing
Molecular formula
C16H22N2O5S
Molecular weight
354.43
Exact mass
354.1249
XLogP
0.4
TPSA
93.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
89.55
Supplementary Information
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