ChemSpider 2D Image | Allyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylene}-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]-4-methyl-1,3-thiazole-5-carboxylate | C34H30N2O6S

Allyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylene}-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC34H30N2O6S
  • Average mass594.677 Da
  • Monoisotopic mass594.182434 Da
  • ChemSpider ID4710662

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3E)-3-{[4-(Benzyloxy)-2-méthylphényl](hydroxy)méthylène}-2-(4-méthylphényl)-4,5-dioxo-1-pyrrolidinyl]-4-méthyl-1,3-thiazole-5-carboxylate d'allyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[(3E)-3-[hydroxy[2-methyl-4-(phenylmethoxy)phenyl]methylene]-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]-4-methyl-, 2-propen-1-yl ester [ACD/Index Name]
Allyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylene}-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Allyl-2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylen}-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
671763-65-8 [RN]
prop-2-en-1-yl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
prop-2-enyl 2-[(3E)-3-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-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: 776.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.6±3.0 kJ/mol
    Flash Point: 423.4±35.7 °C
    Index of Refraction: 1.650
    Molar Refractivity: 164.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 7.76
    ACD/LogD (pH 5.5): 4.90
    ACD/BCF (pH 5.5): 1763.51
    ACD/KOC (pH 5.5): 3713.37
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 30.42
    ACD/KOC (pH 7.4): 64.06
    Polar Surface Area: 134 Å2
    Polarizability: 65.4±0.5 10-24cm3
    Surface Tension: 59.4±3.0 dyne/cm
    Molar Volume: 452.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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