ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[1-(4-fluorophenyl)-4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C29H34FN5O5

2-Methyl-2-propanyl 4-[1-(4-fluorophenyl)-4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC29H34FN5O5
  • Average mass551.609 Da
  • Monoisotopic mass551.254395 Da
  • ChemSpider ID22479954

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(4-fluorophenyl)-4-[[4-(2-furanylcarbonyl)-1-piperazinyl]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[1-(4-fluorophenyl)-4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[1-(4-fluorphenyl)-4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[1-(4-Fluorophényl)-4-{[4-(2-furoyl)-1-pipérazinyl]carbonyl}-1H-pyrazol-5-yl]-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: 694.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.08
ACD/KOC (pH 5.5): 728.93
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.08
ACD/KOC (pH 7.4): 728.93
Polar Surface Area: 101 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 414.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement