ChemSpider 2D Image | Tak-931 | C17H19N5OS

Tak-931

  • Molecular FormulaC17H19N5OS
  • Average mass341.431 Da
  • Monoisotopic mass341.131042 Da
  • ChemSpider ID64879789

More details:

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

2-(1-Azabicyclo[2.2.2]oct-2-yl)-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-(1-Azabicyclo[2.2.2]oct-2-yl)-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-(1-Azabicyclo[2.2.2]oct-2-yl)-6-(3-méthyl-1H-pyrazol-4-yl)thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Tak-931
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(1-azabicyclo[2.2.2]oct-2-yl)-6-(3-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]
1330782-76-7 [RN]
MFCD30802281
Simurosertib

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

LST350G3XU [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.870
    Molar Refractivity: 92.8±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): -1.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.24
    Polar Surface Area: 102 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 73.3±7.0 dyne/cm
    Molar Volume: 204.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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