ChemSpider 2D Image | 2-(4-Ethoxyphenyl)-4-(4-methyl-3-phenyl-1-piperazinyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}pyrimidine | C36H42N6O

2-(4-Ethoxyphenyl)-4-(4-methyl-3-phenyl-1-piperazinyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}pyrimidine

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121977224

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-Ethoxyphenyl)-4-(4-methyl-3-phenyl-1-piperazinyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}pyrimidin [German] [ACD/IUPAC Name]
2-(4-Ethoxyphenyl)-4-(4-methyl-3-phenyl-1-piperazinyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}pyrimidine [ACD/IUPAC Name]
2-(4-Éthoxyphényl)-4-(4-méthyl-3-phényl-1-pipérazinyl)-6-{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-(4-ethoxyphenyl)-4-(4-methyl-3-phenyl-1-piperazinyl)-6-[4-[(2E)-3-phenyl-2-propen-1-yl]-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: 691.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.2±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 175.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 8.45
ACD/KOC (pH 5.5): 19.12
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 49.46
ACD/KOC (pH 7.4): 111.88
Polar Surface Area: 48 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 498.9±3.0 cm3

Click to predict properties on the Chemicalize site


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