ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(6-{4-[3-(4-morpholinyl)propanoyl]-1-piperazinyl}-2-phenyl-4-pyrimidinyl)-1-piperazinecarboxylate | C30H43N7O4

2-Methyl-2-propanyl 4-(6-{4-[3-(4-morpholinyl)propanoyl]-1-piperazinyl}-2-phenyl-4-pyrimidinyl)-1-piperazinecarboxylate

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID121845657

More details:

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

1-Piperazinecarboxylic acid, 4-[6-[4-[3-(4-morpholinyl)-1-oxopropyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(6-{4-[3-(4-morpholinyl)propanoyl]-1-piperazinyl}-2-phenyl-4-pyrimidinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(6-{4-[3-(4-morpholinyl)propanoyl]-1-piperazinyl}-2-phenyl-4-pyrimidinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(6-{4-[3-(4-Morpholinyl)propanoyl]-1-pipérazinyl}-2-phényl-4-pyrimidinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [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: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 154.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 95 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 467.3±3.0 cm3

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