ChemSpider 2D Image | [1-(6-Phenyl-4-pyrimidinyl)-4-piperidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone | C27H28F3N5O

[1-(6-Phenyl-4-pyrimidinyl)-4-piperidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID39341184

More details:

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

[1-(6-Phenyl-4-pyrimidinyl)-4-piperidinyl]{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[1-(6-Phenyl-4-pyrimidinyl)-4-piperidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[1-(6-Phényl-4-pyrimidinyl)-4-pipéridinyl]{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(6-phenyl-4-pyrimidinyl)-4-piperidinyl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]
(1-(6-phenylpyrimidin-4-yl)piperidin-4-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.5±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 102.72
ACD/KOC (pH 5.5): 391.74
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1838.16
ACD/KOC (pH 7.4): 7009.78
Polar Surface Area: 53 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 387.0±3.0 cm3

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