ChemSpider 2D Image | Isopropyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C29H33NO7

Isopropyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC29H33NO7
  • Average mass507.575 Da
  • Monoisotopic mass507.225708 Da
  • ChemSpider ID2390503

More details:

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

3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-, 1-methylethyl ester [ACD/Index Name]
7-(3,4-Diméthoxyphényl)-4-(3-hydroxy-4-méthoxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Isopropyl-7-(3,4-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
333308-83-1 [RN]
AC1MJIJ3
AGN-PC-0JZ426
AKOS000509094
BDTVMDWNTPWHRV-UHFFFAOYSA-N
isopropyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/40751825 [DBID]
BAS 02102242 [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: 656.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.2±3.0 kJ/mol
    Flash Point: 351.1±31.5 °C
    Index of Refraction: 1.607
    Molar Refractivity: 137.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 460.84
    ACD/KOC (pH 5.5): 2806.46
    ACD/LogD (pH 7.4): 3.81
    ACD/BCF (pH 7.4): 458.45
    ACD/KOC (pH 7.4): 2791.92
    Polar Surface Area: 103 Å2
    Polarizability: 54.4±0.5 10-24cm3
    Surface Tension: 55.1±5.0 dyne/cm
    Molar Volume: 397.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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