ChemSpider 2D Image | 2-[(1S,3R,12bS)-12b-(2-Cyclopentylethyl)-10-(2-furyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamide | C37H48N4O5

2-[(1S,3R,12bS)-12b-(2-Cyclopentylethyl)-10-(2-furyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamide

  • Molecular FormulaC37H48N4O5
  • Average mass628.801 Da
  • Monoisotopic mass628.362488 Da
  • ChemSpider ID26340865

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(1S,3R,12bS)-12b-(2-Cyclopentylethyl)-10-(2-furyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamid [German] [ACD/IUPAC Name]
2-[(1S,3R,12bS)-12b-(2-Cyclopentylethyl)-10-(2-furyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamide [ACD/IUPAC Name]
2-[(1S,3R,12bS)-12b-(2-Cyclopentyléthyl)-10-(2-furyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-méthyl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-3-acetamide, 12b-(2-cyclopentylethyl)-N-(1,1-dimethylethyl)-10-(2-furanyl)-1,2,3,4,6,7,12,12b-octahydro-1-(4-morpholinylcarbonyl)-4-oxo-, (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: 868.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 479.0±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 176.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2144.25
ACD/KOC (pH 5.5): 8435.75
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2144.26
ACD/KOC (pH 7.4): 8435.76
Polar Surface Area: 108 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 493.4±5.0 cm3

Click to predict properties on the Chemicalize site


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