ChemSpider 2D Image | Diethyl 5-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate | C30H28N2O6

Diethyl 5-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate

  • Molecular FormulaC30H28N2O6
  • Average mass512.553 Da
  • Monoisotopic mass512.194763 Da
  • ChemSpider ID1389685

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

1,3-Benzenedicarboxylic acid, 5-[[[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl]amino]-, diethyl ester [ACD/Index Name]
5-({[2-(3-Éthoxyphényl)-4-quinoléinyl]carbonyl}amino)isophtalate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate [ACD/IUPAC Name]
Diethyl 5-({[2-(3-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)isophthalate
Diethyl-5-({[2-(3-ethoxyphenyl)-4-chinolinyl]carbonyl}amino)isophthalat [German] [ACD/IUPAC Name]
438212-02-3 [RN]
5-{[2-(3-Ethoxy-phenyl)-quinoline-4-carbonyl]-amino}-isophthalic acid diethyl ester
AC1LWWQK
AGN-PC-0K8XDX
AKOS003306264
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/41017705 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 630.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±3.0 kJ/mol
    Flash Point: 334.8±31.5 °C
    Index of Refraction: 1.627
    Molar Refractivity: 145.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 6.82
    ACD/LogD (pH 5.5): 5.72
    ACD/BCF (pH 5.5): 13175.58
    ACD/KOC (pH 5.5): 30920.86
    ACD/LogD (pH 7.4): 5.72
    ACD/BCF (pH 7.4): 13199.86
    ACD/KOC (pH 7.4): 30977.84
    Polar Surface Area: 104 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 52.4±3.0 dyne/cm
    Molar Volume: 410.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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