ChemSpider 2D Image | {4-[({1-[(3R,4S)-4-Methoxytetrahydro-3-furanyl]-1H-1,2,3-triazol-4-yl}methyl)sulfamoyl]-2-methylphenoxy}acetic acid | C17H22N4O7S

{4-[({1-[(3R,4S)-4-Methoxytetrahydro-3-furanyl]-1H-1,2,3-triazol-4-yl}methyl)sulfamoyl]-2-methylphenoxy}acetic acid

  • Molecular FormulaC17H22N4O7S
  • Average mass426.444 Da
  • Monoisotopic mass426.120911 Da
  • ChemSpider ID67924875

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{4-[({1-[(3R,4S)-4-Methoxytetrahydro-3-furanyl]-1H-1,2,3-triazol-4-yl}methyl)sulfamoyl]-2-methylphenoxy}acetic acid [ACD/IUPAC Name]
{4-[({1-[(3R,4S)-4-Methoxytetrahydro-3-furanyl]-1H-1,2,3-triazol-4-yl}methyl)sulfamoyl]-2-methylphenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[2-methyl-4-[[[[1-[(3R,4S)-tetrahydro-4-methoxy-3-furanyl]-1H-1,2,3-triazol-4-yl]methyl]amino]sulfonyl]phenoxy]- [ACD/Index Name]
Acide {4-[({1-[(3R,4S)-4-méthoxytétrahydro-3-furanyl]-1H-1,2,3-triazol-4-yl}méthyl)sulfamoyl]-2-méthylphénoxy}acétique [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: 678.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 278.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement