ChemSpider 2D Image | N-[(3,4-Dimethoxyphenyl)sulfonyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-beta-alanine | C15H21NO8S2

N-[(3,4-Dimethoxyphenyl)sulfonyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-β-alanine

  • Molecular FormulaC15H21NO8S2
  • Average mass407.459 Da
  • Monoisotopic mass407.070862 Da
  • ChemSpider ID65917831

More details:

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

N-[(3,4-Dimethoxyphenyl)sulfonyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-β-alanin [German] [ACD/IUPAC Name]
N-[(3,4-Dimethoxyphenyl)sulfonyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-β-alanine [ACD/IUPAC Name]
N-[(3,4-Diméthoxyphényl)sulfonyl]-N-(1,1-dioxydotétrahydro-3-thiophényl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index 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: 672.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.6±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.61
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 270.5±5.0 cm3

Click to predict properties on the Chemicalize site


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