ChemSpider 2D Image | (2E)-3-{4-Methoxy-3-[(4-methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl}acrylic acid | C17H18N2O8S2

(2E)-3-{4-Methoxy-3-[(4-methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl}acrylic acid

  • Molecular FormulaC17H18N2O8S2
  • Average mass442.463 Da
  • Monoisotopic mass442.050446 Da
  • ChemSpider ID22832899

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-Methoxy-3-[(4-methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{4-Methoxy-3-[(4-methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-[[[3-(aminosulfonyl)-4-methoxyphenyl]amino]sulfonyl]-4-methoxyphenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{4-méthoxy-3-[(4-méthoxy-3-sulfamoylphényl)sulfamoyl]phényl}acrylique [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: 747.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.7±35.7 °C
Index of Refraction: 1.637
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.78
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 291.1±3.0 cm3

Click to predict properties on the Chemicalize site


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