ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{2-(4-fluorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinecarboxylate | C29H34FN7O4

2-Methyl-2-propanyl 4-{2-(4-fluorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinecarboxylate

  • Molecular FormulaC29H34FN7O4
  • Average mass563.623 Da
  • Monoisotopic mass563.265625 Da
  • ChemSpider ID121219739

More details:

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

1-Piperazinecarboxylic acid, 4-[2-(4-fluorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{2-(4-fluorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{2-(4-fluorphenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{2-(4-Fluorophényl)-6-[4-(4-nitrophényl)-1-pipérazinyl]-4-pyrimidinyl}-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: 1.3±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 150.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 6.97
ACD/KOC (pH 5.5): 27.26
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 11.40
ACD/KOC (pH 7.4): 44.62
Polar Surface Area: 111 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 435.2±3.0 cm3

Click to predict properties on the Chemicalize site


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