ChemSpider 2D Image | 2-{4-[(2S)-4-(6-aminopyridin-3-ylsulfonyl)-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol | C21H20F6N4O3S

2-{4-[(2S)-4-(6-aminopyridin-3-ylsulfonyl)-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol

  • Molecular FormulaC21H20F6N4O3S
  • Average mass522.464 Da
  • Monoisotopic mass522.116028 Da
  • ChemSpider ID31138829

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1361224-53-4 [RN]
2-{4-[(2S)-4-(6-aminopyridin-3-ylsulfonyl)-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propin-1-yl)-1-piperazinyl]phenyl}-1,1,1,3,3,3-hexafluor-2-propanol [German] [ACD/IUPAC Name]
2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanol [ACD/IUPAC Name]
2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-pipérazinyl]phényl}-1,1,1,3,3,3-hexafluoro-2-propanol [French] [ACD/IUPAC Name]
2-{4-[(2s)-4-[(6-Aminopyridin-3-Yl)sulfonyl]-2-(Prop-1-Yn-1-Yl)piperazin-1-Yl]phenyl}-1,1,1,3,3,3-Hexafluoropropan-2-Ol
Benzenemethanol, 4-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]-α,α-bis(trifluoromethyl)- [ACD/Index Name]
2-[4-[(2S)-4-(6-aminopyridin-3-yl)sulfonyl-2-prop-1-ynylpiperazin-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
AMG-3969
BS-15412
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 648.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.5±3.0 kJ/mol
    Flash Point: 346.2±34.3 °C
    Index of Refraction: 1.598
    Molar Refractivity: 114.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.51
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 202.58
    ACD/KOC (pH 5.5): 1516.82
    ACD/LogD (pH 7.4): 3.39
    ACD/BCF (pH 7.4): 221.77
    ACD/KOC (pH 7.4): 1660.48
    Polar Surface Area: 108 Å2
    Polarizability: 45.2±0.5 10-24cm3
    Surface Tension: 62.3±5.0 dyne/cm
    Molar Volume: 334.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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