ChemSpider 2D Image | 4-[4-(Diphenylmethyl)-1-piperazinyl]-6-{4-[4-(2-methyl-2-propanyl)benzyl]-1-piperidinyl}-2-(3-pyridinyl)pyrimidine | C42H48N6

4-[4-(Diphenylmethyl)-1-piperazinyl]-6-{4-[4-(2-methyl-2-propanyl)benzyl]-1-piperidinyl}-2-(3-pyridinyl)pyrimidine

  • Molecular FormulaC42H48N6
  • Average mass636.871 Da
  • Monoisotopic mass636.394043 Da
  • ChemSpider ID121978957

More details:

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

4-[4-(Diphenylmethyl)-1-piperazinyl]-6-{4-[4-(2-methyl-2-propanyl)benzyl]-1-piperidinyl}-2-(3-pyridinyl)pyrimidin [German] [ACD/IUPAC Name]
4-[4-(Diphenylmethyl)-1-piperazinyl]-6-{4-[4-(2-methyl-2-propanyl)benzyl]-1-piperidinyl}-2-(3-pyridinyl)pyrimidine [ACD/IUPAC Name]
4-[4-(Diphénylméthyl)-1-pipérazinyl]-6-{4-[4-(2-méthyl-2-propanyl)benzyl]-1-pipéridinyl}-2-(3-pyridinyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[[4-(1,1-dimethylethyl)phenyl]methyl]-1-piperidinyl]-6-[4-(diphenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 719.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 194.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 2075.74
ACD/KOC (pH 5.5): 1568.62
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 6993.99
ACD/KOC (pH 7.4): 5285.31
Polar Surface Area: 48 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 557.1±3.0 cm3

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