ChemSpider 2D Image | 2-[4-(4-Nitrophenyl)-1-piperazinyl]-2-oxoethyl N-(2-thienylsulfonyl)glycinate | C18H20N4O7S2

2-[4-(4-Nitrophenyl)-1-piperazinyl]-2-oxoethyl N-(2-thienylsulfonyl)glycinate

  • Molecular FormulaC18H20N4O7S2
  • Average mass468.504 Da
  • Monoisotopic mass468.077332 Da
  • ChemSpider ID33604311

More details:

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

2-[4-(4-Nitrophenyl)-1-piperazinyl]-2-oxoethyl N-(2-thienylsulfonyl)glycinate [ACD/IUPAC Name]
2-[4-(4-Nitrophenyl)-1-piperazinyl]-2-oxoethyl-N-(2-thienylsulfonyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-(2-thienylsulfonyl)-, 2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl ester [ACD/Index Name]
N-(2-Thiénylsulfonyl)glycinate de 2-[4-(4-nitrophényl)-1-pipérazinyl]-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: 723.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.6±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.13
ACD/KOC (pH 5.5): 207.58
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.14
ACD/KOC (pH 7.4): 190.73
Polar Surface Area: 178 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 316.8±3.0 cm3

Click to predict properties on the Chemicalize site


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