ChemSpider 2D Image | N-[2-(4-Benzyl-1-piperazinyl)ethyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide | C35H42N4O4

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

  • Molecular FormulaC35H42N4O4
  • Average mass582.732 Da
  • Monoisotopic mass582.320618 Da
  • ChemSpider ID22497289

More details:

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

6H-Dibenzo[a,g]quinolizine-13-carboxamide, 2,3-diethoxy-5,8,13,13a-tetrahydro-8-oxo-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]- [ACD/Index Name]
N-[2-(4-Benzyl-1-piperazinyl)ethyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isochinolino[3,2-a]isochinolin-13-carboxamid [German] [ACD/IUPAC Name]
N-[2-(4-Benzyl-1-pipérazinyl)éthyl]-2,3-diéthoxy-8-oxo-5,8,13,13a-tétrahydro-6H-isoquinoléino[3,2-a]isoquinoléine-13-carboxamide [French] [ACD/IUPAC Name]
N-[2-(4-Benzyl-1-piperazinyl)ethyl]-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: 771.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.6±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 167.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 19.23
ACD/KOC (pH 5.5): 108.15
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 437.20
ACD/KOC (pH 7.4): 2458.77
Polar Surface Area: 74 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 459.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement