ChemSpider 2D Image | (1S,4R,1'S,4'R)-1,1'-[1,4-Piperazinediylbis(sulfonylmethylene)]bis(7,7-dimethylbicyclo[2.2.1]heptan-2-one) | C24H38N2O6S2

(1S,4R,1'S,4'R)-1,1'-[1,4-Piperazinediylbis(sulfonylmethylene)]bis(7,7-dimethylbicyclo[2.2.1]heptan-2-one)

  • Molecular FormulaC24H38N2O6S2
  • Average mass514.698 Da
  • Monoisotopic mass514.217102 Da
  • ChemSpider ID21178823

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4R,1'S,4'R)-1,1'-[1,4-Piperazindiylbis(sulfonylmethylen)]bis(7,7-dimethylbicyclo[2.2.1]heptan-2-on) [German] [ACD/IUPAC Name]
(1S,4R,1'S,4'R)-1,1'-[1,4-Piperazinediylbis(sulfonylmethylene)]bis(7,7-dimethylbicyclo[2.2.1]heptan-2-one) [ACD/IUPAC Name]
(1S,4R,1'S,4'R)-1,1'-[1,4-Pipérazinediylbis(sulfonylméthylène)]bis(7,7-diméthylbicyclo[2.2.1]heptan-2-one) [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one, 1,1'-[1,4-piperazinediylbis(sulfonylmethylene)]bis[7,7-dimethyl-, (1S,4R,1'S,4'R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.1±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.01
ACD/KOC (pH 5.5): 297.23
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.01
ACD/KOC (pH 7.4): 297.23
Polar Surface Area: 126 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 375.7±5.0 cm3

Click to predict properties on the Chemicalize site


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