ChemSpider 2D Image | 8-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-1-(3-methoxypropyl)-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | C27H38N4O3

8-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-1-(3-methoxypropyl)-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

  • Molecular FormulaC27H38N4O3
  • Average mass466.616 Da
  • Monoisotopic mass466.294403 Da
  • ChemSpider ID22864161

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-1-(3-methoxypropyl)-3-(2-pyridinylmethyl)- [ACD/Index Name]
8-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-1-(3-methoxypropyl)-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decan-2,4-dion [German] [ACD/IUPAC Name]
8-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-1-(3-methoxypropyl)-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione [ACD/IUPAC Name]
8-{[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyl}-1-(3-méthoxypropyl)-3-(2-pyridinylméthyl)-1,3,8-triazaspiro[4.5]décane-2,4-dione [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: 575.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 27.45
ACD/KOC (pH 7.4): 143.85
Polar Surface Area: 66 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 380.4±5.0 cm3

Click to predict properties on the Chemicalize site


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