ChemSpider 2D Image | 1-{4-[5-Benzyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl}-1-hexanone | C28H33FN4O

1-{4-[5-Benzyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl}-1-hexanone

  • Molecular FormulaC28H33FN4O
  • Average mass460.586 Da
  • Monoisotopic mass460.263855 Da
  • ChemSpider ID21576335

More details:

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

1-{4-[5-Benzyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl}-1-hexanone [ACD/IUPAC Name]
1-{4-[5-Benzyl-2-(3-fluorophényl)-6-méthyl-4-pyrimidinyl]-1-pipérazinyl}-1-hexanone [French] [ACD/IUPAC Name]
1-{4-[5-Benzyl-2-(3-fluorphenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl}-1-hexanon [German] [ACD/IUPAC Name]
1-Hexanone, 1-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]- [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: 575.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.6±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 415.95
ACD/KOC (pH 5.5): 802.05
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 13340.50
ACD/KOC (pH 7.4): 25723.65
Polar Surface Area: 49 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 401.7±3.0 cm3

Click to predict properties on the Chemicalize site


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