ChemSpider 2D Image | 6-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]hexanamide | C32H40N4O3

6-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]hexanamide

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID35146900

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

6-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]chinazolin-6(5H)-yl)-N-methyl-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]hexanamid [German] [ACD/IUPAC Name]
6-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]hexanamide [ACD/IUPAC Name]
6-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-méthyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]hexanamide [French] [ACD/IUPAC Name]
Isoindolo[2,1-a]quinazoline-6(5H)-hexanamide, 6a,11-dihydro-N-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-5,11-dioxo- [ACD/Index Name]
6-(5,11-dioxoisoindolo[2,1-a]quinazolin-6(5H,6aH,11H)-yl)-N-methyl-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)hexanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 717.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 303.0±25.2 °C
Index of Refraction: 1.649
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 11.60
Polar Surface Area: 64 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

Click to predict properties on the Chemicalize site


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