ChemSpider 2D Image | BI-224436 | C27H26N2O4

BI-224436

  • Molecular FormulaC27H26N2O4
  • Average mass442.506 Da
  • Monoisotopic mass442.189270 Da
  • ChemSpider ID57582712

More details:

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

[4-(2,3-Dihydropyrano[4,3,2-de]chinolin-7-yl)-2-methyl-3-chinolinyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
[4-(2,3-Dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methyl-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
1155419-89-8 [RN]
3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl- [ACD/Index Name]
Acide [4-(2,3-dihydropyrano[4,3,2-de]quinoléin-7-yl)-2-méthyl-3-quinoléinyl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]
BI-224436
(?S,?4R)?-4-?(2,?3-?dihydropyrano[4,?3,?2-?de]?quinolin-?7-?yl)?-??-?(1,?1-?dimethylethoxy)?-?2-?methyl-?3-?Quinolineacetic acid
2-(tert-butoxy)-2-(4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl)acetic acid
2-[2-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-a-(1,1-dimethylethoxy)-2-methyl-, (aS,4R)-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 631.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 98.2±3.0 kJ/mol
    Flash Point: 335.9±31.5 °C
    Index of Refraction: 1.661
    Molar Refractivity: 128.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.11
    ACD/LogD (pH 5.5): 1.46
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 6.64
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.15
    Polar Surface Area: 82 Å2
    Polarizability: 50.8±0.5 10-24cm3
    Surface Tension: 58.0±3.0 dyne/cm
    Molar Volume: 346.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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