ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{N-[4-(3-furoylamino)-2-(trifluoromethyl)phenyl]glycyl}-1-piperazinecarboxylate | C23H27F3N4O5

2-Methyl-2-propanyl 4-{N-[4-(3-furoylamino)-2-(trifluoromethyl)phenyl]glycyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H27F3N4O5
  • Average mass496.479 Da
  • Monoisotopic mass496.193359 Da
  • ChemSpider ID34345231

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[4-[(3-furanylcarbonyl)amino]-2-(trifluoromethyl)phenyl]amino]acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{N-[4-(3-furoylamino)-2-(trifluoromethyl)phenyl]glycyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{N-[4-(3-furoylamino)-2-(trifluormethyl)phenyl]glycyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{N-[4-(3-Furoylamino)-2-(trifluorométhyl)phényl]glycyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC 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: 561.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.29
ACD/KOC (pH 5.5): 1702.65
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.37
ACD/KOC (pH 7.4): 1703.27
Polar Surface Area: 104 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 366.0±3.0 cm3

Click to predict properties on the Chemicalize site


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