ChemSpider 2D Image | Ethyl 3-(4-methylphenyl)-4-oxo-5-[(3,4,5-triethoxybenzoyl)amino]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate | C29H31N3O7S

Ethyl 3-(4-methylphenyl)-4-oxo-5-[(3,4,5-triethoxybenzoyl)amino]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate

  • Molecular FormulaC29H31N3O7S
  • Average mass565.637 Da
  • Monoisotopic mass565.188293 Da
  • ChemSpider ID2661539

More details:

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

3-(4-Méthylphényl)-4-oxo-5-[(3,4,5-triéthoxybenzoyl)amino]-3,4-dihydrothiéno[3,4-d]pyridazine-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(4-methylphenyl)-4-oxo-5-[(3,4,5-triethoxybenzoyl)amino]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate [ACD/IUPAC Name]
Ethyl-3-(4-methylphenyl)-4-oxo-5-[(3,4,5-triethoxybenzoyl)amino]-3,4-dihydrothieno[3,4-d]pyridazin-1-carboxylat [German] [ACD/IUPAC Name]
Thieno[3,4-d]pyridazine-1-carboxylic acid, 3,4-dihydro-3-(4-methylphenyl)-4-oxo-5-[(3,4,5-triethoxybenzoyl)amino]-, ethyl ester [ACD/Index Name]
851948-22-6 [RN]
ethyl 3-(4-methylphenyl)-4-oxo-5-(3,4,5-triethoxybenzamido)-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
ethyl 3-(4-methylphenyl)-4-oxo-5-[(3,4,5-triethoxybenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
ethyl 4-oxo-3-(p-tolyl)-5-(3,4,5-triethoxybenzamido)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.615
    Molar Refractivity: 151.1±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 5.64
    ACD/LogD (pH 5.5): 4.49
    ACD/BCF (pH 5.5): 1523.15
    ACD/KOC (pH 5.5): 6603.97
    ACD/LogD (pH 7.4): 4.49
    ACD/BCF (pH 7.4): 1522.69
    ACD/KOC (pH 7.4): 6601.98
    Polar Surface Area: 144 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 47.2±7.0 dyne/cm
    Molar Volume: 432.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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