ChemSpider 2D Image | Methyl 4-{[2-(2,3'-bithiophen-5-yl)-2-hydroxyethyl]sulfamoyl}benzoate | C18H17NO5S3

Methyl 4-{[2-(2,3'-bithiophen-5-yl)-2-hydroxyethyl]sulfamoyl}benzoate

  • Molecular FormulaC18H17NO5S3
  • Average mass423.526 Da
  • Monoisotopic mass423.026886 Da
  • ChemSpider ID64972565

More details:

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

4-{[2-(2,3'-Bithiophén-5-yl)-2-hydroxyéthyl]sulfamoyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2-[2,3'-bithiophen]-5-yl-2-hydroxyethyl)amino]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-(2,3'-bithiophen-5-yl)-2-hydroxyethyl]sulfamoyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-(2,3'-bithiophen-5-yl)-2-hydroxyethyl]sulfamoyl}benzoat [German] [ACD/IUPAC Name]
2097862-53-6 [RN]
methyl 4-[(2-{[2,3'-bithiophene]-5-yl}-2-hydroxyethyl)sulfamoyl]benzoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 614.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.7±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 106.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 294.76
ACD/KOC (pH 5.5): 2038.16
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 292.94
ACD/KOC (pH 7.4): 2025.57
Polar Surface Area: 158 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

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