ChemSpider 2D Image | (6R)-6-({[(8aR)-1-(3-Hydroxypropyl)-1,8a-dihydro-7-quinolinyl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-2-piperazinone | C34H41N3O6

(6R)-6-({[(8aR)-1-(3-Hydroxypropyl)-1,8a-dihydro-7-quinolinyl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-2-piperazinone

  • Molecular FormulaC34H41N3O6
  • Average mass587.706 Da
  • Monoisotopic mass587.299561 Da
  • ChemSpider ID26354105

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R)-6-({[(8aR)-1-(3-Hydroxypropyl)-1,8a-dihydro-7-chinolinyl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-2-piperazinon [German] [ACD/IUPAC Name]
(6R)-6-({[(8aR)-1-(3-Hydroxypropyl)-1,8a-dihydro-7-quinoléinyl]oxy}méthyl)-1-(4-{3-[(2-méthoxybenzyl)oxy]propoxy}phényl)-2-pipérazinone [French] [ACD/IUPAC Name]
(6R)-6-({[(8aR)-1-(3-Hydroxypropyl)-1,8a-dihydro-7-quinolinyl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-2-piperazinone [ACD/IUPAC Name]
2-Piperazinone, 6-[[[(8aR)-1,8a-dihydro-1-(3-hydroxypropyl)-7-quinolinyl]oxy]methyl]-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-, (6R)- [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: 856.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 471.7±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 166.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 20.22
ACD/KOC (pH 5.5): 170.39
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 136.43
ACD/KOC (pH 7.4): 1149.69
Polar Surface Area: 93 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 462.1±5.0 cm3

Click to predict properties on the Chemicalize site


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