ChemSpider 2D Image | {2-[Acetyl(ethyl)amino]-1,3-thiazol-4-yl}methyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate | C17H21N5O7S2

{2-[Acetyl(ethyl)amino]-1,3-thiazol-4-yl}methyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate

  • Molecular FormulaC17H21N5O7S2
  • Average mass471.508 Da
  • Monoisotopic mass471.088226 Da
  • ChemSpider ID33001919

More details:

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

{2-[Acetyl(ethyl)amino]-1,3-thiazol-4-yl}methyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate [ACD/IUPAC Name]
{2-[Acetyl(ethyl)amino]-1,3-thiazol-4-yl}methyl-N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[4-(methylamino)-3-nitrophenyl]sulfonyl]-, [2-(acetylethylamino)-4-thiazolyl]methyl ester [ACD/Index Name]
N-{[4-(Méthylamino)-3-nitrophényl]sulfonyl}glycinate de {2-[acétyl(éthyl)amino]-1,3-thiazol-4-yl}méthyle [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: 652.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.6±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.40
ACD/KOC (pH 5.5): 257.63
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.23
ACD/KOC (pH 7.4): 239.30
Polar Surface Area: 200 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 319.4±3.0 cm3

Click to predict properties on the Chemicalize site


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