ChemSpider 2D Image | Ethyl 1-{6-[2-(4-fluorophenyl)-6-methyl-4-morpholinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-piperidinecarboxylate | C33H41FN4O3

Ethyl 1-{6-[2-(4-fluorophenyl)-6-methyl-4-morpholinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-piperidinecarboxylate

  • Molecular FormulaC33H41FN4O3
  • Average mass560.702 Da
  • Monoisotopic mass560.316284 Da
  • ChemSpider ID122005242

More details:

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

1-{6-[2-(4-Fluorophényl)-6-méthyl-4-morpholinyl]-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[4-(1,1-dimethylethyl)phenyl]-6-[2-(4-fluorophenyl)-6-methyl-4-morpholinyl]-4-pyrimidinyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{6-[2-(4-fluorophenyl)-6-methyl-4-morpholinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{6-[2-(4-fluorphenyl)-6-methyl-4-morpholinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 169.93
ACD/KOC (pH 5.5): 267.75
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 193.16
ACD/KOC (pH 7.4): 304.35
Polar Surface Area: 68 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 485.9±3.0 cm3

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