ChemSpider 2D Image | 1-(4-{6-[4-(2-Methylbenzyl)-1-piperazinyl]-2-phenyl-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone | C33H43N7O2

1-(4-{6-[4-(2-Methylbenzyl)-1-piperazinyl]-2-phenyl-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID121851270

More details:

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

1-(4-{6-[4-(2-Methylbenzyl)-1-piperazinyl]-2-phenyl-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{6-[4-(2-Methylbenzyl)-1-piperazinyl]-2-phenyl-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{6-[4-(2-Méthylbenzyl)-1-pipérazinyl]-2-phényl-4-pyrimidinyl}-1-pipérazinyl)-3-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[6-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-(4-morpholinyl)- [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: 714.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.05
Polar Surface Area: 68 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 474.7±3.0 cm3

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