ChemSpider 2D Image | (6'S,13'S)-1-Benzyl-7',11',15'-trioxospiro[piperidine-4,9'-[2,8,12,16]tetraazatricyclo[14.2.2.0~2,6~]icosane]-13'-carboxamide | C28H40N6O4

(6'S,13'S)-1-Benzyl-7',11',15'-trioxospiro[piperidine-4,9'-[2,8,12,16]tetraazatricyclo[14.2.2.02,6]icosane]-13'-carboxamide

  • Molecular FormulaC28H40N6O4
  • Average mass524.655 Da
  • Monoisotopic mass524.311096 Da
  • ChemSpider ID84488122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6'S,13'S)-1-Benzyl-7',11',15'-trioxospiro[piperidine-4,9'-[2,8,12,16]tetraazatricyclo[14.2.2.02,6]icosane]-13'-carboxamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 858.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 473.0±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -4.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 400.4±5.0 cm3

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