Dofetilide

Compound Structure

CAS Number: 115256-11-6

Molecular Mass: 441.6 g/mol

Formula: C19H27N3O5S2

Smiles: CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 293.15 - 0.1382 [493]
1-Octanol 298.15 - 0.1993 [493]
1-Octanol 303.15 - 0.2797 [493]
1-Octanol 308.15 - 0.4016 [493]
1-Octanol 313.15 - 0.5346 [493]
Hexane 293.15 - 0.0011 [493]
Hexane 298.15 - 0.0013 [493]
Hexane 303.15 - 0.0017 [493]
Hexane 308.15 - 0.002 [493]
Hexane 313.15 - 0.0024 [493]

Molecule 3D descriptors

Descriptor Value
PMI1 1060.3914
PMI2 19898.3417
PMI3 20499.4494
NPR1 0.0517
NPR2 0.9707
RadiusOfGyration 6.8515
InertialShapeFactor 0.0009
Eccentricity 0.9987
Asphericity 0.8531
SpherocityIndex 0.0478
PBF 0.6543