SMILES:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccccc2C#N)SC[C@H]1OC(C)=OMolecular Processing
Molecular formula
C18H19NO6S2
Molecular weight
409.49
Exact mass
409.0654
XLogP
2.52
TPSA
102.69
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
99.92
Supplementary Information
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Involved in 4 reactions→