ChemSpider 2D Image | Diethyl 1-{2-[(7E)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate | C32H35N5O5

Diethyl 1-{2-[(7E)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID4713539

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{2-[(7E)-7-(4-Méthylbenzylidène)-3-(4-méthylphényl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoéthyl}-1H-1,2,3-triazole-4,5-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-[2-[(7E)-3,3a,4,5,6,7-hexahydro-3-(4-methylphenyl)-7-[(4-methylphenyl)methylene]-2H-indazol-2-yl]-2-oxoethyl]-, diethyl ester [ACD/Index Name]
Diethyl 1-{2-[(7E)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate [ACD/IUPAC Name]
Diethyl-1-{2-[(7E)-7-(4-methylbenzyliden)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazol-4,5-dicarboxylat [German] [ACD/IUPAC Name]
(E)-diethyl 1-(2-(7-(4-methylbenzylidene)-3-(p-tolyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
1-{2-[7-(4-Methyl-benzylidene)-3-p-tolyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-2-oxo-ethyl}-1H-[1,2,3]triazole-4,5-dicarboxylic acid diethyl ester
512813-91-1 [RN]
diethyl 1-[2-[(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]triazole-4,5-dicarboxylate
ethyl 4-(ethoxycarbonyl)-1-(2-{3-(4-methylphenyl)-7-[(4-methylphenyl)methylene](2H-3,4,5,6,3a-pentahydroindazol-2-yl)}-2-oxoethyl)-1,2,3-triazole-5-carboxylate
PSXNFYLNHSUHMF-HKOYGPOVSA-N

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

AK-968/41171668 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 708.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 382.3±35.7 °C
    Index of Refraction: 1.640
    Molar Refractivity: 159.0±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.70
    ACD/LogD (pH 5.5): 4.70
    ACD/BCF (pH 5.5): 2213.56
    ACD/KOC (pH 5.5): 8628.81
    ACD/LogD (pH 7.4): 4.70
    ACD/BCF (pH 7.4): 2214.65
    ACD/KOC (pH 7.4): 8633.08
    Polar Surface Area: 116 Å2
    Polarizability: 63.0±0.5 10-24cm3
    Surface Tension: 49.2±7.0 dyne/cm
    Molar Volume: 441.3±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement