ChemSpider 2D Image | 2-Amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C34H34N4O5

2-Amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC34H34N4O5
  • Average mass578.658 Da
  • Monoisotopic mass578.252930 Da
  • ChemSpider ID2891260

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

2-Amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
2-Amino-4-{3-[(4-éthylphénoxy)méthyl]-4-méthoxyphényl}-7,7-diméthyl-1-(3-nitrophényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
2-Amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,4,5,6,7,8-hexahydro-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo- [ACD/Index Name]
(4S)-2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
2-Amino-4-[3-(4-ethyl-phenoxymethyl)-4-methoxy-phenyl]-7,7-dimethyl-1-(3-nitro-phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile
2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
2-amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-1-{3-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
444926-32-3 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/15604037 [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: 775.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 112.9±3.0 kJ/mol
    Flash Point: 422.9±32.9 °C
    Index of Refraction: 1.658
    Molar Refractivity: 162.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.76
    ACD/LogD (pH 5.5): 5.89
    ACD/BCF (pH 5.5): 17449.05
    ACD/KOC (pH 5.5): 37726.36
    ACD/LogD (pH 7.4): 5.89
    ACD/BCF (pH 7.4): 17617.68
    ACD/KOC (pH 7.4): 38090.96
    Polar Surface Area: 134 Å2
    Polarizability: 64.3±0.5 10-24cm3
    Surface Tension: 65.3±5.0 dyne/cm
    Molar Volume: 440.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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