ChemSpider 2D Image | 2-[(Allylcarbamoyl)amino]-2-oxoethyl N-{[4-(methylsulfanyl)-3-nitrophenyl]sulfonyl}glycinate | C15H18N4O8S2

2-[(Allylcarbamoyl)amino]-2-oxoethyl N-{[4-(methylsulfanyl)-3-nitrophenyl]sulfonyl}glycinate

  • Molecular FormulaC15H18N4O8S2
  • Average mass446.455 Da
  • Monoisotopic mass446.056610 Da
  • ChemSpider ID22325022

More details:

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

2-[(Allylcarbamoyl)amino]-2-oxoethyl N-{[4-(methylsulfanyl)-3-nitrophenyl]sulfonyl}glycinate [ACD/IUPAC Name]
2-[(Allylcarbamoyl)amino]-2-oxoethyl-N-{[4-(methylsulfanyl)-3-nitrophenyl]sulfonyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[4-(methylthio)-3-nitrophenyl]sulfonyl]-, 2-oxo-2-[[(2-propen-1-ylamino)carbonyl]amino]ethyl ester [ACD/Index Name]
N-{[4-(Méthylsulfanyl)-3-nitrophényl]sulfonyl}glycinate de 2-[(allylcarbamoyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.92
ACD/KOC (pH 5.5): 284.81
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 11.58
ACD/KOC (pH 7.4): 174.30
Polar Surface Area: 210 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 296.8±5.0 cm3

Click to predict properties on the Chemicalize site


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