ChemSpider 2D Image | Ethyl 4-(2-phenyl-6-{5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl}-4-pyrimidinyl)-1-piperazinecarboxylate | C29H26F3N5O3

Ethyl 4-(2-phenyl-6-{5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl}-4-pyrimidinyl)-1-piperazinecarboxylate

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID3728842

More details:

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

1-Piperazinecarboxylic acid, 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-4-pyrimidinyl]-, ethyl ester [ACD/Index Name]
4-(2-Phényl-6-{5-[4-(trifluorométhoxy)phényl]-3-pyridinyl}-4-pyrimidinyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-{2-Phenyl-6-[5-(4-trifluoromethoxy-phenyl)-pyridin-3-yl]-pyrimidin-4-yl}-piperazine-1-carboxylic acid ethyl ester
Ethyl 4-(2-phenyl-6-{5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl}-4-pyrimidinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(2-phenyl-6-{5-[4-(trifluormethoxy)phenyl]-3-pyridinyl}-4-pyrimidinyl)-1-piperazincarboxylat [German] [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: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5244.04
ACD/KOC (pH 5.5): 15880.05
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5383.34
ACD/KOC (pH 7.4): 16301.87
Polar Surface Area: 81 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 422.8±3.0 cm3

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