ChemSpider 2D Image | 2-[5-(2-Acetamidoethyl)-2-thienyl]-2-oxoethyl 4-(methylsulfonyl)-3-nitrobenzoate | C18H18N2O8S2

2-[5-(2-Acetamidoethyl)-2-thienyl]-2-oxoethyl 4-(methylsulfonyl)-3-nitrobenzoate

  • Molecular FormulaC18H18N2O8S2
  • Average mass454.474 Da
  • Monoisotopic mass454.050446 Da
  • ChemSpider ID22072456

More details:

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

2-[5-(2-Acetamidoethyl)-2-thienyl]-2-oxoethyl 4-(methylsulfonyl)-3-nitrobenzoate [ACD/IUPAC Name]
2-[5-(2-Acetamidoethyl)-2-thienyl]-2-oxoethyl-4-(methylsulfonyl)-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-(Méthylsulfonyl)-3-nitrobenzoate de 2-[5-(2-acétamidoéthyl)-2-thiényl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methylsulfonyl)-3-nitro-, 2-[5-[2-(acetylamino)ethyl]-2-thienyl]-2-oxoethyl ester [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: 789.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.4±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 110.87
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.05
ACD/KOC (pH 7.4): 110.87
Polar Surface Area: 189 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 318.1±3.0 cm3

Click to predict properties on the Chemicalize site


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