ChemSpider 2D Image | 2-Phenylethyl 4-[2-(benzyloxy)phenyl]-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C40H39NO6

2-Phenylethyl 4-[2-(benzyloxy)phenyl]-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC40H39NO6
  • Average mass629.741 Da
  • Monoisotopic mass629.277710 Da
  • ChemSpider ID2393687

More details:

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

2-Phenylethyl 4-[2-(benzyloxy)phenyl]-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-Phenylethyl-4-[2-(benzyloxy)phenyl]-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-[2-(phenylmethoxy)phenyl]-, 2-phenylethyl ester [ACD/Index Name]
4-[2-(Benzyloxy)phényl]-7-(3,4-diméthoxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-phényléthyle [French] [ACD/IUPAC Name]
2-phenylethyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
494195-31-2 [RN]
AC1MJPWF
AGN-PC-0KPRUQ
MCULE-5336396589
MolPort-001-979-609
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/40753972 [DBID]
BAS 02374524 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 770.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.1±3.0 kJ/mol
    Flash Point: 419.6±32.9 °C
    Index of Refraction: 1.641
    Molar Refractivity: 180.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 6.81
    ACD/LogD (pH 5.5): 6.93
    ACD/BCF (pH 5.5): 108648.47
    ACD/KOC (pH 5.5): 140074.92
    ACD/LogD (pH 7.4): 6.93
    ACD/BCF (pH 7.4): 108651.69
    ACD/KOC (pH 7.4): 140079.08
    Polar Surface Area: 83 Å2
    Polarizability: 71.6±0.5 10-24cm3
    Surface Tension: 57.5±5.0 dyne/cm
    Molar Volume: 500.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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