ChemSpider 2D Image | 13-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]carbonyl}-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one | C34H39N3O4

13-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]carbonyl}-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID22497282

More details:

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

13-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]carbonyl}-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isochinolino[3,2-a]isochinolin-8-on [German] [ACD/IUPAC Name]
13-{[4-(2,3-Diméthylphényl)-1-pipérazinyl]carbonyl}-2,3-diéthoxy-5,6,13,13a-tétrahydro-8H-isoquinoléino[3,2-a]isoquinoléin-8-one [French] [ACD/IUPAC Name]
13-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]carbonyl}-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one [ACD/IUPAC Name]
8H-Dibenzo[a,g]quinolizin-8-one, 13-[[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl]-2,3-diethoxy-5,6,13,13a-tetrahydro- [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: 748.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6316.75
ACD/KOC (pH 5.5): 18238.80
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6366.91
ACD/KOC (pH 7.4): 18383.64
Polar Surface Area: 62 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 435.6±5.0 cm3

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