ChemSpider 2D Image | Diethyl 5-({[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate | C32H32N2O6

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

  • Molecular FormulaC32H32N2O6
  • Average mass540.606 Da
  • Monoisotopic mass540.226013 Da
  • ChemSpider ID4353191

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl]amino]-, diethyl ester [ACD/Index Name]
5-({[2-(3-Butoxyphényl)-4-quinoléinyl]carbonyl}amino)isophtalate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-({[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate [ACD/IUPAC Name]
Diethyl 5-({[2-(3-butoxyphenyl)quinolin-4-yl]carbonyl}amino)isophthalate
Diethyl-5-({[2-(3-butoxyphenyl)-4-chinolinyl]carbonyl}amino)isophthalat [German] [ACD/IUPAC Name]
438212-90-9 [RN]
5-{[2-(3-Butoxy-phenyl)-quinoline-4-carbonyl]-amino}-isophthalic acid diethyl ester
AC1NPLKN
AGN-PC-0LO0KT
AKOS003306565
More...

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

AK-968/41017730 [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: 648.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.6±3.0 kJ/mol
    Flash Point: 346.0±31.5 °C
    Index of Refraction: 1.615
    Molar Refractivity: 154.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 7.89
    ACD/LogD (pH 5.5): 6.43
    ACD/BCF (pH 5.5): 45365.22
    ACD/KOC (pH 5.5): 74920.13
    ACD/LogD (pH 7.4): 6.43
    ACD/BCF (pH 7.4): 45448.38
    ACD/KOC (pH 7.4): 75057.46
    Polar Surface Area: 104 Å2
    Polarizability: 61.3±0.5 10-24cm3
    Surface Tension: 50.8±3.0 dyne/cm
    Molar Volume: 443.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement