ChemSpider 2D Image | 1-Oxo-1-({2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}amino)-2-propanyl N-2-furoyl-beta-alaninate | C19H18F3N3O6

1-Oxo-1-({2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}amino)-2-propanyl N-2-furoyl-β-alaninate

  • Molecular FormulaC19H18F3N3O6
  • Average mass441.358 Da
  • Monoisotopic mass441.114777 Da
  • ChemSpider ID32875319

More details:

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

1-Oxo-1-({2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}amino)-2-propanyl N-2-furoyl-β-alaninate [ACD/IUPAC Name]
1-Oxo-1-({2-oxo-2-[(2,3,4-trifluorphenyl)amino]ethyl}amino)-2-propanyl-N-2-furoyl-β-alaninat [German] [ACD/IUPAC Name]
N-2-Furoyl-β-alaninate de 1-oxo-1-({2-oxo-2-[(2,3,4-trifluorophényl)amino]éthyl}amino)-2-propanyle [French] [ACD/IUPAC Name]
β-Alanine, N-(2-furanylcarbonyl)-, 1-methyl-2-oxo-2-[[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]amino]ethyl ester [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: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.96
ACD/KOC (pH 5.5): 93.26
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 93.18
Polar Surface Area: 127 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

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