ChemSpider 2D Image | 2-({[2-(1,3-Benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}[2-(2,2,2-trifluoroethoxy)ethyl]amino)ethanol | C17H19F3N2O4S

2-({[2-(1,3-Benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}[2-(2,2,2-trifluoroethoxy)ethyl]amino)ethanol

  • Molecular FormulaC17H19F3N2O4S
  • Average mass404.404 Da
  • Monoisotopic mass404.101776 Da
  • ChemSpider ID31970955

More details:

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

2-({[2-(1,3-Benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}[2-(2,2,2-trifluorethoxy)ethyl]amino)ethanol [German] [ACD/IUPAC Name]
2-({[2-(1,3-Benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}[2-(2,2,2-trifluoroethoxy)ethyl]amino)ethanol [ACD/IUPAC Name]
2-({[2-(1,3-Benzodioxol-5-yl)-1,3-thiazol-4-yl]méthyl}[2-(2,2,2-trifluoroéthoxy)éthyl]amino)éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[[2-(1,3-benzodioxol-5-yl)-4-thiazolyl]methyl][2-(2,2,2-trifluoroethoxy)ethyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 513.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.6±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 11.86
ACD/KOC (pH 5.5): 171.91
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.58
ACD/KOC (pH 7.4): 312.83
Polar Surface Area: 92 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement