ChemSpider 2D Image | BS-194 | C20H27N5O3

BS-194

  • Molecular FormulaC20H27N5O3
  • Average mass385.460 Da
  • Monoisotopic mass385.211395 Da
  • ChemSpider ID25060280

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-[[3-(1-Methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1,2,4-butanetriol
(2S,3S)-3-{[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol
(2S,3S)-3-{[7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}-1,2,4-butanetriol [ACD/IUPAC Name]
(2S,3S)-3-{[7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}-1,2,4-butanetriol [French] [ACD/IUPAC Name]
(2S,3S)-3-{[7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}-1,2,4-butantriol [German] [ACD/IUPAC Name]
(2S,3S)-3-{[7-(benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol
1,2,4-Butanetriol, 3-[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-, (2S,3S)- [ACD/Index Name]
1092443-55-4 [RN]
BS-194
(2S,3S)-3-((7-(benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)butane-1,2,4-triol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.651
    Molar Refractivity: 105.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): 0.98
    ACD/BCF (pH 5.5): 3.24
    ACD/KOC (pH 5.5): 79.39
    ACD/LogD (pH 7.4): 1.01
    ACD/BCF (pH 7.4): 3.45
    ACD/KOC (pH 7.4): 84.41
    Polar Surface Area: 115 Å2
    Polarizability: 41.8±0.5 10-24cm3
    Surface Tension: 52.6±7.0 dyne/cm
    Molar Volume: 288.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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