ChemSpider 2D Image | N-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-[(1S,3R,12bS)-10-(2-furyl)-12b-methyl-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]acetamide | C37H46N4O5

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

  • Molecular FormulaC37H46N4O5
  • Average mass626.785 Da
  • Monoisotopic mass626.346802 Da
  • ChemSpider ID26357822

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Indolo[2,3-a]quinolizine-3-acetamide, N-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-10-(2-furanyl)-1,2,3,4,6,7,12,12b-octahydro-12b-methyl-1-(4-morpholinylcarbonyl)-4-oxo-, (1S,3R,12bS)- [ACD/Index Name]
N-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-[(1S,3R,12bS)-10-(2-furyl)-12b-methyl-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-3-yl]acetamid [German] [ACD/IUPAC Name]
N-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-[(1S,3R,12bS)-10-(2-furyl)-12b-methyl-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]acetamide [ACD/IUPAC Name]
N-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-2-[(1S,3R,12bS)-10-(2-furyl)-12b-méthyl-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]acétamide [French] [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: 879.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 486.0±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 177.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4205.69
ACD/KOC (pH 5.5): 13662.67
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4205.69
ACD/KOC (pH 7.4): 13662.69
Polar Surface Area: 108 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 497.5±5.0 cm3

Click to predict properties on the Chemicalize site


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