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Search term: FXCGZOIUXOVRMD-STROYTFGSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | {4-[6-(Benzyloxy)-2-pyridinyl]-1-piperazinyl}[(3R,4aR,10aR)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl]methanone | C32H38N4O3

{4-[6-(Benzyloxy)-2-pyridinyl]-1-piperazinyl}[(3R,4aR,10aR)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl]methanone

  • Molecular FormulaC32H38N4O3
  • Average mass526.669 Da
  • Monoisotopic mass526.294373 Da
  • ChemSpider ID23306337
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

{4-[6-(Benzyloxy)-2-pyridinyl]-1-piperazinyl}[(3R,4aR,10aR)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]chinolin-3-yl]methanon [German] [ACD/IUPAC Name]
{4-[6-(Benzyloxy)-2-pyridinyl]-1-pipérazinyl}[(3R,4aR,10aR)-6-méthoxy-1-méthyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoléin-3-yl]méthanone [French] [ACD/IUPAC Name]
{4-[6-(Benzyloxy)-2-pyridinyl]-1-piperazinyl}[(3R,4aR,10aR)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl]methanone [ACD/IUPAC Name]
{4-[6-(benzyloxy)pyridin-2-yl]piperazin-1-yl}[(3R,4aR,10aR)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl]methanone
Methanone, [(3R,4aR,10aR)-1,2,3,4,4a,5,10,10a-octahydro-6-methoxy-1-methylbenzo[g]quinolin-3-yl][4-[6-(phenylmethoxy)-2-pyridinyl]-1-piperazinyl]- [ACD/Index Name]
(4-(6-(benzyloxy)pyridin-2-yl)piperazin-1-yl)((3R,4aR,10aR)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl)methanone
10.1016/j.bmcl.2007.04.078

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 151.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.85
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 129.70
ACD/KOC (pH 7.4): 383.77
Polar Surface Area: 58 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 441.3±3.0 cm3

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