ChemSpider 2D Image | Cyclobutyl{4-[6-ethyl-5-(2-fluorobenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}methanone | C28H31FN4O

Cyclobutyl{4-[6-ethyl-5-(2-fluorobenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}methanone

  • Molecular FormulaC28H31FN4O
  • Average mass458.570 Da
  • Monoisotopic mass458.248199 Da
  • ChemSpider ID21551171

More details:

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

Cyclobutyl{4-[6-ethyl-5-(2-fluorbenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Cyclobutyl{4-[6-ethyl-5-(2-fluorobenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
Cyclobutyl{4-[6-éthyl-5-(2-fluorobenzyl)-2-phényl-4-pyrimidinyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, cyclobutyl[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-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: 576.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 37.99
ACD/KOC (pH 5.5): 129.80
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1344.23
ACD/KOC (pH 7.4): 4593.09
Polar Surface Area: 49 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 379.2±3.0 cm3

Click to predict properties on the Chemicalize site


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