ChemSpider 2D Image | 3-[7-(Benzyloxy)-6-isoquinolinyl]benzenesulfonamide | C22H18N2O3S

3-[7-(Benzyloxy)-6-isoquinolinyl]benzenesulfonamide

  • Molecular FormulaC22H18N2O3S
  • Average mass390.455 Da
  • Monoisotopic mass390.103821 Da
  • ChemSpider ID24701291

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-[7-(Benzyloxy)-6-isochinolinyl]benzolsulfonamid [German] [ACD/IUPAC Name]
3-[7-(Benzyloxy)-6-isoquinoléinyl]benzènesulfonamide [French] [ACD/IUPAC Name]
3-[7-(Benzyloxy)-6-isoquinolinyl]benzenesulfonamide [ACD/IUPAC Name]
Benzenesulfonamide, 3-[7-(phenylmethoxy)-6-isoquinolinyl]- [ACD/Index Name]
benzyloxyisoquinoline, 6
GSK980961A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL483747/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 618.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.6±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 110.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 311.57
ACD/KOC (pH 5.5): 1885.95
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 466.21
ACD/KOC (pH 7.4): 2822.04
Polar Surface Area: 91 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

Click to predict properties on the Chemicalize site


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