ChemSpider 2D Image | 2-Ethyl 4-methyl 5-({[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate | C24H28N4O7S

2-Ethyl 4-methyl 5-({[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC24H28N4O7S
  • Average mass516.567 Da
  • Monoisotopic mass516.167847 Da
  • ChemSpider ID3336526

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

2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[(4-nitro-1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)carbonyl]amino]-, 2-ethyl 4-methyl ester [ACD/Index Name]
2-Ethyl 4-methyl 5-({[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
2-Ethyl 4-methyl 5-({[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate
2-Ethyl-4-methyl-5-({[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
5-({[1-(Adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-méthyl-2,4-thiophènedicarboxylate de 2-éthyle et de 4-méthyle [French] [ACD/IUPAC Name]
2-ethyl 4-methyl 3-methyl-5-({[4-nitro-1-(tricyclo[3.3.1.13,7]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)thiophene-2,4-dicarboxylate
2-ethyl 4-methyl 5-({[1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
2-ethyl 4-methyl 5-(1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carboxamido)-3-methylthiophene-2,4-dicarboxylate
2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
2-O-ethyl 4-O-methyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/41022287 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 617.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.5±3.0 kJ/mol
    Flash Point: 326.9±31.5 °C
    Index of Refraction: 1.731
    Molar Refractivity: 129.3±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 6.32
    ACD/LogD (pH 5.5): 5.25
    ACD/BCF (pH 5.5): 5768.12
    ACD/KOC (pH 5.5): 17129.31
    ACD/LogD (pH 7.4): 5.25
    ACD/BCF (pH 7.4): 5766.16
    ACD/KOC (pH 7.4): 17123.48
    Polar Surface Area: 174 Å2
    Polarizability: 51.2±0.5 10-24cm3
    Surface Tension: 66.4±7.0 dyne/cm
    Molar Volume: 323.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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