ChemSpider 2D Image | {4-[2-Cyclopropyl-6-ethyl-5-(3-methylbenzyl)-4-pyrimidinyl]-1-piperazinyl}(4-fluorophenyl)methanone | C28H31FN4O

{4-[2-Cyclopropyl-6-ethyl-5-(3-methylbenzyl)-4-pyrimidinyl]-1-piperazinyl}(4-fluorophenyl)methanone

  • Molecular FormulaC28H31FN4O
  • Average mass458.570 Da
  • Monoisotopic mass458.248199 Da
  • ChemSpider ID29263201

More details:

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

{4-[2-Cyclopropyl-6-ethyl-5-(3-methylbenzyl)-4-pyrimidinyl]-1-piperazinyl}(4-fluorophenyl)methanone [ACD/IUPAC Name]
{4-[2-Cyclopropyl-6-éthyl-5-(3-méthylbenzyl)-4-pyrimidinyl]-1-pipérazinyl}(4-fluorophényl)méthanone [French] [ACD/IUPAC Name]
{4-[2-Cyclopropyl-6-ethyl-5-(3-methylbenzyl)-4-pyrimidinyl]-1-piperazinyl}(4-fluorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[2-cyclopropyl-6-ethyl-5-[(3-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl](4-fluorophenyl)- [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: 638.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.2±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 6.11
ACD/KOC (pH 5.5): 25.54
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 54.64
ACD/KOC (pH 7.4): 228.46
Polar Surface Area: 49 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 376.9±3.0 cm3

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