ChemSpider 2D Image | doramapimod | C31H37N5O3

doramapimod

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID137746

More details:






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

1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[2-(4-morpholinyl)ethoxy]-1-naphthyl}harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[2-(4-morpholinyl)ethoxy]-1-naphthyl}urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[2-(4-morpholinyl)éthoxy]-1-naphtyl}urée [French] [ACD/IUPAC Name]
1-[3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(morpholin-4-yl)ethoxy]-1-naphthyl}urea
285983-48-4 [RN]
3-[3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
doramapimod [INN] [USAN]
HO1A8B3YVV
L66J BO2- AT6N DOTJ& EMVM- ET5NNJ AR D1& CX1&1&1 [WLN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8325 [DBID]
BIRB 796 [DBID]
BIRB-796 [DBID]
D03736 [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: 631.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.4±3.0 kJ/mol
    Flash Point: 335.8±31.5 °C
    Index of Refraction: 1.620
    Molar Refractivity: 153.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.11
    ACD/LogD (pH 5.5): 4.84
    ACD/BCF (pH 5.5): 1640.50
    ACD/KOC (pH 5.5): 3679.34
    ACD/LogD (pH 7.4): 5.77
    ACD/BCF (pH 7.4): 13991.00
    ACD/KOC (pH 7.4): 31379.36
    Polar Surface Area: 81 Å2
    Polarizability: 60.7±0.5 10-24cm3
    Surface Tension: 45.6±7.0 dyne/cm
    Molar Volume: 436.2±7.0 cm3

    Click to predict properties on the Chemicalize site






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