ChemSpider 2D Image | 2-[(1S,3R,12bS)-10-(2-Furyl)-12b-methyl-4-oxo-1-(1-piperidinylcarbonyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(2-pyridinyl)ethyl]acetamide | C35H39N5O4

2-[(1S,3R,12bS)-10-(2-Furyl)-12b-methyl-4-oxo-1-(1-piperidinylcarbonyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(2-pyridinyl)ethyl]acetamide

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID26371184

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(1S,3R,12bS)-10-(2-Furyl)-12b-methyl-4-oxo-1-(1-piperidinylcarbonyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-3-yl]-N-[2-(2-pyridinyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-[(1S,3R,12bS)-10-(2-Furyl)-12b-methyl-4-oxo-1-(1-piperidinylcarbonyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(2-pyridinyl)ethyl]acetamide [ACD/IUPAC Name]
2-[(1S,3R,12bS)-10-(2-Furyl)-12b-méthyl-4-oxo-1-(1-pipéridinylcarbonyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(2-pyridinyl)éthyl]acétamide [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-3-acetamide, 10-(2-furanyl)-1,2,3,4,6,7,12,12b-octahydro-12b-methyl-4-oxo-1-(1-piperidinylcarbonyl)-N-[2-(2-pyridinyl)ethyl]-, (1S,3R,12bS)- [ACD/Index 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: 885.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 489.2±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 248.36
ACD/KOC (pH 5.5): 1643.77
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.23
ACD/KOC (pH 7.4): 2265.05
Polar Surface Area: 112 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 443.9±5.0 cm3

Click to predict properties on the Chemicalize site


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