CC(=O)OC1CSC(Sc2ccccc2C#N)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Sc2ccccc2C#N)C(OC(C)=O)C1OC(C)=O

Molecular 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
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
99.92

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→