ChemSpider 2D Image | 8-{4-[4-(2-Pyrimidinyl)-1-piperazinyl](2,2,3,3-~2~H_4_)butyl}-8-azaspiro[4.5]decane-7,9-dione | C21H27D4N5O2

8-{4-[4-(2-Pyrimidinyl)-1-piperazinyl](2,2,3,3-2H4)butyl}-8-azaspiro[4.5]decane-7,9-dione

  • Molecular FormulaC21H27D4N5O2
  • Average mass389.528 Da
  • Monoisotopic mass389.272888 Da
  • ChemSpider ID8916405

  • Non-standard isotope - Non-standard isotope

More details:

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

8-{4-[4-(2-Pyrimidinyl)-1-piperazinyl](2,2,3,3-2H4)butyl}-8-azaspiro[4.5]decan-7,9-dion [German] [ACD/IUPAC Name]
8-{4-[4-(2-Pyrimidinyl)-1-piperazinyl](2,2,3,3-2H4)butyl}-8-azaspiro[4.5]decane-7,9-dione [ACD/IUPAC Name]
8-{4-[4-(2-Pyrimidinyl)-1-pipérazinyl](2,2,3,3-2H4)butyl}-8-azaspiro[4.5]décane-7,9-dione [French] [ACD/IUPAC Name]
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl-2,2,3,3-d4]- [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: 613.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 106.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 9.65
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 45.39
ACD/KOC (pH 7.4): 423.13
Polar Surface Area: 70 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 310.7±5.0 cm3

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