ChemSpider 2D Image | N-{4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}-N-(vinylsulfonyl)-beta-alanine | C17H20N4O8S2

N-{4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}-N-(vinylsulfonyl)-β-alanine

  • Molecular FormulaC17H20N4O8S2
  • Average mass472.493 Da
  • Monoisotopic mass472.072266 Da
  • ChemSpider ID102828901

More details:

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

N-{4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}-N-(vinylsulfonyl)-β-alanin [German] [ACD/IUPAC Name]
N-{4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}-N-(vinylsulfonyl)-β-alanine [ACD/IUPAC Name]
N-{4-[(2,6-Diméthoxy-4-pyrimidinyl)sulfamoyl]phényl}-N-(vinylsulfonyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]-N-(ethenylsulfonyl)- [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: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.6±35.7 °C
Index of Refraction: 1.621
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 311.3±3.0 cm3

Click to predict properties on the Chemicalize site


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