ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[4-({[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)benzoyl]oxy}-1-piperidinecarboxylate | C23H27F3N4O5

2-Methyl-2-propanyl 4-{[4-({[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)benzoyl]oxy}-1-piperidinecarboxylate

  • Molecular FormulaC23H27F3N4O5
  • Average mass496.479 Da
  • Monoisotopic mass496.193359 Da
  • ChemSpider ID69772939

More details:

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

1-Piperidinecarboxylic acid, 4-[[4-[[2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]amino]benzoyl]oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[4-({[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)benzoyl]oxy}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[4-({[3-(trifluormethyl)-1H-pyrazol-1-yl]acetyl}amino)benzoyl]oxy}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[4-({2-[3-(Trifluorométhyl)-1H-pyrazol-1-yl]acétyl}amino)benzoyl]oxy}-1-pipéridinecarboxylate 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: 1.3±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.6±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.83
ACD/KOC (pH 5.5): 2670.04
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.83
ACD/KOC (pH 7.4): 2670.03
Polar Surface Area: 103 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 369.5±7.0 cm3

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