ChemSpider 2D Image | 4-[4-(Diphenylmethyl)-1-piperazinyl]-2-(4-ethoxyphenyl)-6-{4-[2-(3-methoxyphenyl)ethyl]-1-piperazinyl}pyrimidine | C42H48N6O2

4-[4-(Diphenylmethyl)-1-piperazinyl]-2-(4-ethoxyphenyl)-6-{4-[2-(3-methoxyphenyl)ethyl]-1-piperazinyl}pyrimidine

  • Molecular FormulaC42H48N6O2
  • Average mass668.870 Da
  • Monoisotopic mass668.383850 Da
  • ChemSpider ID121921147

More details:

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

4-[4-(Diphenylmethyl)-1-piperazinyl]-2-(4-ethoxyphenyl)-6-{4-[2-(3-methoxyphenyl)ethyl]-1-piperazinyl}pyrimidin [German] [ACD/IUPAC Name]
4-[4-(Diphenylmethyl)-1-piperazinyl]-2-(4-ethoxyphenyl)-6-{4-[2-(3-methoxyphenyl)ethyl]-1-piperazinyl}pyrimidine [ACD/IUPAC Name]
4-[4-(Diphénylméthyl)-1-pipérazinyl]-2-(4-éthoxyphényl)-6-{4-[2-(3-méthoxyphényl)éthyl]-1-pipérazinyl}pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[4-(diphenylmethyl)-1-piperazinyl]-2-(4-ethoxyphenyl)-6-[4-[2-(3-methoxyphenyl)ethyl]-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: 742.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.0±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 199.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 22.67
ACD/KOC (pH 5.5): 30.75
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 266.55
ACD/KOC (pH 7.4): 361.54
Polar Surface Area: 57 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 572.8±3.0 cm3

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