ChemSpider 2D Image | 4-{6-[4-(3-Methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-phenyl-2-piperazinone | C36H42N6O

4-{6-[4-(3-Methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-phenyl-2-piperazinone

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID122003486

More details:

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

2-Piperazinone, 4-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-4-pyrimidinyl]-1-phenyl- [ACD/Index Name]
4-{6-[4-(3-Methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-phenyl-2-piperazinon [German] [ACD/IUPAC Name]
4-{6-[4-(3-Methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-phenyl-2-piperazinone [ACD/IUPAC Name]
4-{6-[4-(3-Méthylbenzyl)-1-pipérazinyl]-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-1-phényl-2-pipérazinone [French] [ACD/IUPAC 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: 717.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 171.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 34.12
ACD/KOC (pH 5.5): 76.82
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 846.13
ACD/KOC (pH 7.4): 1905.28
Polar Surface Area: 56 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 489.8±3.0 cm3

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