ChemSpider 2D Image | 1-(4-{2-Benzyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone | C33H43N7O3

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

  • Molecular FormulaC33H43N7O3
  • Average mass585.740 Da
  • Monoisotopic mass585.342712 Da
  • ChemSpider ID121775600

More details:

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

1-(4-{2-Benzyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{2-Benzyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{2-Benzyl-6-[4-(4-méthoxyphényl)-1-pipérazinyl]-4-pyrimidinyl}-1-pipérazinyl)-3-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(phenylmethyl)-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: 807.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.0±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 165.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 78 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 482.5±3.0 cm3

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