ChemSpider 2D Image | 2-[(10,11-Dimethoxy-9-oxo-9H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-6-yl)oxy]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide | C35H40N4O6

2-[(10,11-Dimethoxy-9-oxo-9H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-6-yl)oxy]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide

  • Molecular FormulaC35H40N4O6
  • Average mass612.715 Da
  • Monoisotopic mass612.294800 Da
  • ChemSpider ID58174956

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(10,11-Dimethoxy-9-oxo-9H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-6-yl)oxy]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]acetamid [German] [ACD/IUPAC Name]
2-[(10,11-Dimethoxy-9-oxo-9H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-6-yl)oxy]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide [ACD/IUPAC Name]
2-[(10,11-Diméthoxy-9-oxo-9H-benzo[c]indolo[3,2,1-ij][1,5]naphtyridin-6-yl)oxy]-N-(2-méthoxyéthyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(10,11-dimethoxy-9-oxo-9H-benz[c]indolo[3,2,1-ij][1,5]naphthyridin-6-yl)oxy]-N-(2-methoxyethyl)-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 420.1±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 167.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 4.28
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 6.27
ACD/KOC (pH 7.4): 26.63
Polar Surface Area: 95 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 450.2±7.0 cm3

Click to predict properties on the Chemicalize site


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