ChemSpider 2D Image | 4-[(10aS)-7,8-Dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]butanamide | C28H40N4O5

4-[(10aS)-7,8-Dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]butanamide

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID60552935

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-[(10aS)-7,8-Dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isochinolin-2(3H)-yl]-N-methyl-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]butanamid [German] [ACD/IUPAC Name]
4-[(10aS)-7,8-Diméthoxy-1,3-dioxo-1,5,10,10a-tétrahydroimidazo[1,5-b]isoquinoléin-2(3H)-yl]-N-méthyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]butanamide [French] [ACD/IUPAC Name]
4-[(10aS)-7,8-Dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]butanamide [ACD/IUPAC Name]
Imidazo[1,5-b]isoquinoline-2(3H)-butanamide, 1,5,10,10a-tetrahydro-7,8-dimethoxy-N-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-1,3-dioxo-, (10aS)- [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: 661.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.51
Polar Surface Area: 83 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 401.8±5.0 cm3

Click to predict properties on the Chemicalize site


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