ChemSpider 2D Image | 2-Oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl 4-(4-morpholinyl)-3-nitrobenzoate | C21H24N6O6

2-Oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl 4-(4-morpholinyl)-3-nitrobenzoate

  • Molecular FormulaC21H24N6O6
  • Average mass456.452 Da
  • Monoisotopic mass456.175720 Da
  • ChemSpider ID22549539

More details:

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

2-Oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl 4-(4-morpholinyl)-3-nitrobenzoate [ACD/IUPAC Name]
2-Oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl-4-(4-morpholinyl)-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-(4-Morpholinyl)-3-nitrobenzoate de 2-oxo-2-[4-(2-pyrimidinyl)-1-pipérazinyl]éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-morpholinyl)-3-nitro-, 2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.5±35.7 °C
Index of Refraction: 1.620
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.56
ACD/KOC (pH 5.5): 139.82
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.21
ACD/KOC (pH 7.4): 170.37
Polar Surface Area: 134 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 327.9±3.0 cm3

Click to predict properties on the Chemicalize site


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