ChemSpider 2D Image | 2-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole-5,7-dicarboxylic acid | C29H41N3O5S

2-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole-5,7-dicarboxylic acid

  • Molecular FormulaC29H41N3O5S
  • Average mass543.718 Da
  • Monoisotopic mass543.276672 Da
  • ChemSpider ID3460342

More details:

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

2-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazol-5,7-dicarbonsäure [German] [ACD/IUPAC Name]
2-(3-Heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole-5,7-dicarboxylic acid [ACD/IUPAC Name]
5,7-Benzothiazoledicarboxylic acid, 2-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)- [ACD/Index Name]
Acide 2-(3-heptadécyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole-5,7-dicarboxylique [French] [ACD/IUPAC Name]
116030-46-7 [RN]
2-(3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzo[d]thiazole-5,7-dicarboxylic acid
2-(3-Heptadecyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzothiazole-5,7-dicarboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 701.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.8±3.0 kJ/mol
    Flash Point: 378.0±35.7 °C
    Index of Refraction: 1.611
    Molar Refractivity: 150.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 19
    #Rule of 5 Violations: 2
    ACD/LogP: 9.20
    ACD/LogD (pH 5.5): 4.96
    ACD/BCF (pH 5.5): 366.19
    ACD/KOC (pH 5.5): 165.09
    ACD/LogD (pH 7.4): 4.89
    ACD/BCF (pH 7.4): 310.73
    ACD/KOC (pH 7.4): 140.08
    Polar Surface Area: 148 Å2
    Polarizability: 59.7±0.5 10-24cm3
    Surface Tension: 50.2±7.0 dyne/cm
    Molar Volume: 433.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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