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ChemSpider 2D Image | (1S,3R,12bS)-N,N-Diethyl-10-(2-furyl)-12b-methyl-3-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carboxamide | C33H43N5O5

(1S,3R,12bS)-N,N-Diethyl-10-(2-furyl)-12b-methyl-3-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carboxamide

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID26626518

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3R,12bS)-N,N-Diethyl-10-(2-furyl)-12b-methyl-3-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-1-carboxamid [German] [ACD/IUPAC Name]
(1S,3R,12bS)-N,N-Diethyl-10-(2-furyl)-12b-methyl-3-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carboxamide [ACD/IUPAC Name]
(1S,3R,12bS)-N,N-Diéthyl-10-(2-furyl)-12b-méthyl-3-(2-{[2-(4-morpholinyl)éthyl]amino}-2-oxoéthyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carboxamide [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-3-acetamide, 1-[(diethylamino)carbonyl]-10-(2-furanyl)-1,2,3,4,6,7,12,12b-octahydro-12b-methyl-N-[2-(4-morpholinyl)ethyl]-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: 845.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 465.1±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 3.84
ACD/KOC (pH 5.5): 46.08
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 37.63
ACD/KOC (pH 7.4): 451.37
Polar Surface Area: 111 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 453.2±5.0 cm3

Click to predict properties on the Chemicalize site


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