ChemSpider 2D Image | N-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)propyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide | C34H39N3O4

N-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)propyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID22497286

More details:

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

6H-Dibenzo[a,g]quinolizine-13-carboxamide, N-[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]-2,3-diethoxy-5,8,13,13a-tetrahydro-8-oxo- [ACD/Index Name]
N-[3-(3,4-Dihydro-2(1H)-isochinolinyl)propyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isochinolino[3,2-a]isochinolin-13-carboxamid [German] [ACD/IUPAC Name]
N-[3-(3,4-Dihydro-2(1H)-isoquinoléinyl)propyl]-2,3-diéthoxy-8-oxo-5,8,13,13a-tétrahydro-6H-isoquinoléino[3,2-a]isoquinoléine-13-carboxamide [French] [ACD/IUPAC Name]
N-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)propyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide [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: 760.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 413.7±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 3.38
ACD/KOC (pH 5.5): 14.33
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 150.98
ACD/KOC (pH 7.4): 639.09
Polar Surface Area: 71 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 437.2±5.0 cm3

Click to predict properties on the Chemicalize site


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