ChemSpider 2D Image | 3-(9,10-Dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide | C33H42N4O6

3-(9,10-Dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide

  • Molecular FormulaC33H42N4O6
  • Average mass590.710 Da
  • Monoisotopic mass590.310425 Da
  • ChemSpider ID58172896

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3-(9,10-Dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]chinazolin-6(5H)-yl)-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]propanamid [German] [ACD/IUPAC Name]
3-(9,10-Dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide [ACD/IUPAC Name]
3-(9,10-Diméthoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-(2-méthoxyéthyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]propanamide [French] [ACD/IUPAC Name]
Isoindolo[2,1-a]quinazoline-6(5H)-propanamide, 6a,11-dihydro-9,10-dimethoxy-N-(2-methoxyethyl)-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-5,11-dioxo- [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: 771.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.5±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.91
Polar Surface Area: 92 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 449.3±5.0 cm3

Click to predict properties on the Chemicalize site


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