ChemSpider 2D Image | 4-{[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide | C24H32ClN5O2

4-{[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide

  • Molecular FormulaC24H32ClN5O2
  • Average mass457.996 Da
  • Monoisotopic mass457.224457 Da
  • ChemSpider ID29770562

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrazole-1-acetamide, 4-chloro-3,5-dimethyl-N-[4-[[[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]amino]carbonyl]phenyl]- [ACD/Index Name]
4-{[(4-Chlor-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]benzamid [German] [ACD/IUPAC Name]
4-{[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide [ACD/IUPAC Name]
4-{[2-(4-Chloro-3,5-diméthyl-1H-pyrazol-1-yl)acétyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]benzamide [French] [ACD/IUPAC Name]
1435899-87-8 [RN]
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 688.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±3.0 kJ/mol
    Flash Point: 370.1±31.5 °C
    Index of Refraction: 1.657
    Molar Refractivity: 126.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.13
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.10
    ACD/LogD (pH 7.4): 1.48
    ACD/BCF (pH 7.4): 1.91
    ACD/KOC (pH 7.4): 10.34
    Polar Surface Area: 79 Å2
    Polarizability: 49.9±0.5 10-24cm3
    Surface Tension: 50.9±7.0 dyne/cm
    Molar Volume: 342.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement