ChemSpider 2D Image | [(3S,4aS,10aS)-6-Methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl][4-(4-nitrophenyl)-1-piperazinyl]methanone | C26H32N4O4

[(3S,4aS,10aS)-6-Methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl][4-(4-nitrophenyl)-1-piperazinyl]methanone

  • Molecular FormulaC26H32N4O4
  • Average mass464.557 Da
  • Monoisotopic mass464.242371 Da
  • ChemSpider ID23306079

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3S,4aS,10aS)-6-Methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]chinolin-3-yl][4-(4-nitrophenyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[(3S,4aS,10aS)-6-Méthoxy-1-méthyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoléin-3-yl][4-(4-nitrophényl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
[(3S,4aS,10aS)-6-Methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl][4-(4-nitrophenyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[(3S,4aS,10aS)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Methanone, [4-(4-nitrophenyl)-1-piperazinyl][(3S,4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydro-6-methoxy-1-methylbenzo[g]quinolin-3-yl]- [ACD/Index Name]
((3S,4aS,10aS)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl)(4-(4-nitrophenyl)piperazin-1-yl)methanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.86
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 25.37
ACD/KOC (pH 7.4): 134.82
Polar Surface Area: 82 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 375.2±3.0 cm3

Click to predict properties on the Chemicalize site


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