ChemSpider 2D Image | 1-{4-[5-(2-Fluorobenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-5-hexen-2-ol | C28H33FN4O

1-{4-[5-(2-Fluorobenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-5-hexen-2-ol

  • Molecular FormulaC28H33FN4O
  • Average mass460.586 Da
  • Monoisotopic mass460.263855 Da
  • ChemSpider ID22697886

More details:

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

1-{4-[5-(2-Fluorbenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-5-hexen-2-ol [German] [ACD/IUPAC Name]
1-{4-[5-(2-Fluorobenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-5-hexen-2-ol [ACD/IUPAC Name]
1-{4-[5-(2-Fluorobenzyl)-6-méthyl-2-phényl-4-pyrimidinyl]-1-pipérazinyl}-5-hexén-2-ol [French] [ACD/IUPAC Name]
1-Piperazineethanol, α-3-buten-1-yl-4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.5±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 5.36
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 859.63
ACD/KOC (pH 7.4): 2870.98
Polar Surface Area: 52 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 401.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement