ChemSpider 2D Image | (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate | C18H16N4O8S

(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate

  • Molecular FormulaC18H16N4O8S
  • Average mass448.407 Da
  • Monoisotopic mass448.068878 Da
  • ChemSpider ID21976896

More details:

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

(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate [ACD/IUPAC Name]
(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl-N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[4-(methylamino)-3-nitrophenyl]sulfonyl]-, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester [ACD/Index Name]
N-{[4-(Méthylamino)-3-nitrophényl]sulfonyl}glycinate de (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 673.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.0±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.95
ACD/KOC (pH 5.5): 317.45
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.45
ACD/KOC (pH 7.4): 295.78
Polar Surface Area: 176 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 286.4±3.0 cm3

Click to predict properties on the Chemicalize site


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