ChemSpider 2D Image | 2,3-Diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide | C34H41N3O4

2,3-Diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide

  • Molecular FormulaC34H41N3O4
  • Average mass555.707 Da
  • Monoisotopic mass555.309692 Da
  • ChemSpider ID22497280

More details:

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

2,3-Diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isochinolino[3,2-a]isochinolin-13-carboxamid [German] [ACD/IUPAC Name]
2,3-Diéthoxy-N-{3-[éthyl(3-méthylphényl)amino]propyl}-8-oxo-5,8,13,13a-tétrahydro-6H-isoquinoléino[3,2-a]isoquinoléine-13-carboxamide [French] [ACD/IUPAC Name]
2,3-Diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-8-oxo-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-N-[3-[ethyl(3-methylphenyl)amino]propyl]-5,8,13,13a-tetrahydro-8-oxo- [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: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 2127.96
ACD/KOC (pH 5.5): 5141.78
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11254.92
ACD/KOC (pH 7.4): 27195.25
Polar Surface Area: 71 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 456.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement