ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-ylmethyl]-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]acetamide | C44H56N4O5

N-[(3s,5s,7s)-Adamantan-1-ylmethyl]-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]acetamide

  • Molecular FormulaC44H56N4O5
  • Average mass720.939 Da
  • Monoisotopic mass720.425049 Da
  • ChemSpider ID26395234

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Indolo[2,3-a]quinolizine-3-acetamide, 12b-(2-cyclopentylethyl)-10-(2-furanyl)-1,2,3,4,6,7,12,12b-octahydro-1-(4-morpholinylcarbonyl)-4-oxo-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-, (1S,3R,12bS)- [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-ylmethyl]-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]acetamid [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylmethyl]-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]acetamide [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylméthyl]-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]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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 202.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 83751.70
ACD/KOC (pH 5.5): 116267.49
ACD/LogD (pH 7.4): 6.78
ACD/BCF (pH 7.4): 83751.80
ACD/KOC (pH 7.4): 116267.62
Polar Surface Area: 108 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 550.8±5.0 cm3

Click to predict properties on the Chemicalize site


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