ChemSpider 2D Image | Isopropyl 2-[(4-{[(2-furylmethyl)(methoxyacetyl)amino]methyl}phenoxy)sulfonyl]benzoate | C25H27NO8S

Isopropyl 2-[(4-{[(2-furylmethyl)(methoxyacetyl)amino]methyl}phenoxy)sulfonyl]benzoate

  • Molecular FormulaC25H27NO8S
  • Average mass501.549 Da
  • Monoisotopic mass501.145752 Da
  • ChemSpider ID29242358

More details:

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

2-[(4-{[(2-Furylméthyl)(2-méthoxyacétyl)amino]méthyl}phénoxy)sulfonyl]benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-[[(2-furanylmethyl)(2-methoxyacetyl)amino]methyl]phenoxy]sulfonyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-[(4-{[(2-furylmethyl)(methoxyacetyl)amino]methyl}phenoxy)sulfonyl]benzoate [ACD/IUPAC Name]
Isopropyl-2-[(4-{[(2-furylmethyl)(methoxyacetyl)amino]methyl}phenoxy)sulfonyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 386.01
ACD/KOC (pH 5.5): 2472.26
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.01
ACD/KOC (pH 7.4): 2472.26
Polar Surface Area: 121 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 391.0±3.0 cm3

Click to predict properties on the Chemicalize site


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