ChemSpider 2D Image | Ethyl 4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C29H32N2O7

Ethyl 4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID3881539

More details:

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

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-, ethyl ester [ACD/Index Name]
4-{3-Méthoxy-4-[(4-nitrobenzyl)oxy]phényl}-2,7,7-triméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
397875-04-6 [RN]
ethyl 4-(3-methoxy-4-((4-nitrobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
ethyl 4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 670.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.5±3.0 kJ/mol
    Flash Point: 359.4±31.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 140.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.33
    ACD/LogD (pH 5.5): 4.95
    ACD/BCF (pH 5.5): 3385.84
    ACD/KOC (pH 5.5): 11698.29
    ACD/LogD (pH 7.4): 4.95
    ACD/BCF (pH 7.4): 3386.04
    ACD/KOC (pH 7.4): 11698.97
    Polar Surface Area: 120 Å2
    Polarizability: 55.5±0.5 10-24cm3
    Surface Tension: 55.6±5.0 dyne/cm
    Molar Volume: 405.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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