ChemSpider 2D Image | (4-Butylphenyl){4-[5-(2-fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl}methanone | C28H33FN4O

(4-Butylphenyl){4-[5-(2-fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl}methanone

  • Molecular FormulaC28H33FN4O
  • Average mass460.586 Da
  • Monoisotopic mass460.263855 Da
  • ChemSpider ID21579438

More details:

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

(4-Butylphenyl){4-[5-(2-fluorbenzyl)-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(4-Butylphenyl){4-[5-(2-fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(4-Butylphényl){4-[5-(2-fluorobenzyl)-2,6-diméthyl-4-pyrimidinyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4-butylphenyl)[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: 631.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.7±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 16.88
ACD/KOC (pH 5.5): 55.23
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 301.81
ACD/KOC (pH 7.4): 987.41
Polar Surface Area: 49 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 398.2±3.0 cm3

Click to predict properties on the Chemicalize site


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