ChemSpider 2D Image | 2-(1,3-Benzothiazol-2-yl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1-(3-methylbenzyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione | C32H27N5O2S

2-(1,3-Benzothiazol-2-yl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1-(3-methylbenzyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione

  • Molecular FormulaC32H27N5O2S
  • Average mass545.654 Da
  • Monoisotopic mass545.188538 Da
  • ChemSpider ID4160145

More details:

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

1H-Pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione, 2-(2-benzothiazolyl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1-[(3-methylphenyl)methyl]- [ACD/Index Name]
2-(1,3-Benzothiazol-2-yl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1-(3-methylbenzyl)-1H-pyrazolo[4,3-c]pyridin-3,6(2H,5H)-dion [German] [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1-(3-methylbenzyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-5-[2-(1H-indol-3-yl)éthyl]-4-méthyl-1-(3-méthylbenzyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione [French] [ACD/IUPAC Name]
5-(2-(1H-indol-3-yl)ethyl)-2-(benzo[d]thiazol-2-yl)-4-methyl-1-(3-methylbenzyl)-1,2-dihydro-5H-pyrazolo[4,3-c]pyridine-3,6-dione
2-(1,3-benzothiazol-2-yl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1-[(3-methylphenyl)methyl]pyrazolo[4,3-c]pyridine-3,6-dione
2-Benzothiazol-2-yl-5-[2-(1H-indol-3-yl)-ethyl]-4-methyl-1-(3-methyl-benzyl)-1,2-dihydro-5H-pyrazolo[4,3-c]pyridine-3,6-dione
895990-73-5 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 759.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 110.6±3.0 kJ/mol
    Flash Point: 412.8±35.7 °C
    Index of Refraction: 1.783
    Molar Refractivity: 159.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.78
    ACD/LogD (pH 5.5): 5.05
    ACD/BCF (pH 5.5): 4076.63
    ACD/KOC (pH 5.5): 13360.77
    ACD/LogD (pH 7.4): 5.05
    ACD/BCF (pH 7.4): 4077.14
    ACD/KOC (pH 7.4): 13362.45
    Polar Surface Area: 101 Å2
    Polarizability: 63.0±0.5 10-24cm3
    Surface Tension: 81.8±5.0 dyne/cm
    Molar Volume: 377.8±5.0 cm3

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