ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C30H37N5O5

2-Methyl-2-propanyl 4-[4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC30H37N5O5
  • Average mass547.645 Da
  • Monoisotopic mass547.279480 Da
  • ChemSpider ID13152626

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[4-(2-furanylcarbonyl)-1-piperazinyl]carbonyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[4-{[4-(2-Furoyl)-1-pipérazinyl]carbonyl}-1-(3-méthylphényl)-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: 711.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.2±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.86
ACD/KOC (pH 5.5): 1133.53
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.86
ACD/KOC (pH 7.4): 1133.53
Polar Surface Area: 101 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 426.7±7.0 cm3

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