ChemSpider 2D Image | 3-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl]benzenesulfonamide | C34H36N4O4S

3-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl]benzenesulfonamide

  • Molecular FormulaC34H36N4O4S
  • Average mass596.739 Da
  • Monoisotopic mass596.245728 Da
  • ChemSpider ID26618844

More details:

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

3-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl]benzenesulfonamide [ACD/IUPAC Name]
3-[3',6'-Bis(diéthylamino)-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl]benzènesulfonamide [French] [ACD/IUPAC Name]
3-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[3',6'-bis(diethylamino)-3-oxospiro[1H-isoindole-1,9'-[9H]xanthen]-2(3H)-yl]- [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: 807.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.4±37.1 °C
Index of Refraction: 1.705
Molar Refractivity: 169.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 31940.46
ACD/KOC (pH 5.5): 44003.77
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 84125.70
ACD/KOC (pH 7.4): 115898.38
Polar Surface Area: 105 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 434.9±5.0 cm3

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