ChemSpider 2D Image | 2,3-Diethoxy-8-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide | C32H44N4O4

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

  • Molecular FormulaC32H44N4O4
  • Average mass548.716 Da
  • Monoisotopic mass548.336243 Da
  • ChemSpider ID20245160

More details:

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

2,3-Diethoxy-8-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5,8,13,13a-tetrahydro-6H-isochinolino[3,2-a]isochinolin-13-carboxamid [German] [ACD/IUPAC Name]
2,3-Diéthoxy-8-oxo-N-[3-(4-propyl-1-pipérazinyl)propyl]-5,8,13,13a-tétrahydro-6H-isoquinoléino[3,2-a]isoquinoléine-13-carboxamide [French] [ACD/IUPAC Name]
2,3-Diethoxy-8-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide [ACD/IUPAC Name]
6H-Dibenzo[a,g]quinolizine-13-carboxamide, 2,3-diethoxy-5,8,13,13a-tetrahydro-8-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.16
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 41.28
ACD/KOC (pH 7.4): 320.76
Polar Surface Area: 74 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 450.0±5.0 cm3

Click to predict properties on the Chemicalize site


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