ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(ethyl)amino]-2-oxoethyl N-(4-bromobenzoyl)glycinate | C17H21BrN2O6S

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(ethyl)amino]-2-oxoethyl N-(4-bromobenzoyl)glycinate

  • Molecular FormulaC17H21BrN2O6S
  • Average mass461.327 Da
  • Monoisotopic mass460.030365 Da
  • ChemSpider ID127990230

More details:

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

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(ethyl)amino]-2-oxoethyl N-(4-bromobenzoyl)glycinate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(ethyl)amino]-2-oxoethyl-N-(4-brombenzoyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-(4-bromobenzoyl)-, 2-[ethyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]
N-(4-Bromobenzoyl)glycinate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(éthyl)amino]-2-oxoéthyle [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: 712.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 68.83
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 68.82
Polar Surface Area: 118 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 295.3±5.0 cm3

Click to predict properties on the Chemicalize site


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