ChemSpider 2D Image | N-[3-(4-Benzyl-1-piperazinyl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide | C32H36N4O2

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

  • Molecular FormulaC32H36N4O2
  • Average mass508.654 Da
  • Monoisotopic mass508.283813 Da
  • ChemSpider ID13132648

More details:

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

6H-Dibenzo[a,g]quinolizine-13-carboxamide, 5,8,13,13a-tetrahydro-8-oxo-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]- [ACD/Index Name]
N-[3-(4-Benzyl-1-piperazinyl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isochinolino[3,2-a]isochinolin-13-carboxamid [German] [ACD/IUPAC Name]
N-[3-(4-Benzyl-1-pipérazinyl)propyl]-8-oxo-5,8,13,13a-tétrahydro-6H-isoquinoléino[3,2-a]isoquinoléine-13-carboxamide [French] [ACD/IUPAC Name]
N-[3-(4-Benzyl-1-piperazinyl)propyl]-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: 730.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 16.95
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 85.19
ACD/KOC (pH 7.4): 676.97
Polar Surface Area: 56 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 400.9±5.0 cm3

Click to predict properties on the Chemicalize site


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