ChemSpider 2D Image | {4-[5-(2-Fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl}[4-(2-methyl-2-propanyl)phenyl]methanone | C28H33FN4O

{4-[5-(2-Fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl}[4-(2-methyl-2-propanyl)phenyl]methanone

  • Molecular FormulaC28H33FN4O
  • Average mass460.586 Da
  • Monoisotopic mass460.263855 Da
  • ChemSpider ID21558446

More details:

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

{4-[5-(2-Fluorbenzyl)-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl}[4-(2-methyl-2-propanyl)phenyl]methanon [German] [ACD/IUPAC Name]
{4-[5-(2-Fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl}[4-(2-methyl-2-propanyl)phenyl]methanone [ACD/IUPAC Name]
{4-[5-(2-Fluorobenzyl)-2,6-diméthyl-4-pyrimidinyl]-1-pipérazinyl}[4-(2-méthyl-2-propanyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(1,1-dimethylethyl)phenyl][4-[5-[(2-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index 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: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 329.0±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 14.31
ACD/KOC (pH 5.5): 49.07
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 255.85
ACD/KOC (pH 7.4): 877.30
Polar Surface Area: 49 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 399.1±3.0 cm3

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