ChemSpider 2D Image | trans-4-{4-[7-Amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol | C22H19ClN6O2S

trans-4-{4-[7-Amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol

  • Molecular FormulaC22H19ClN6O2S
  • Average mass466.943 Da
  • Monoisotopic mass466.097870 Da
  • ChemSpider ID30822653

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl]-, trans- [ACD/Index Name]
trans-4-{4-[7-Amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorfuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol [German] [ACD/IUPAC Name]
trans-4-{4-[7-Amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol [ACD/IUPAC Name]
trans-4-{4-[7-Amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol [French] [ACD/IUPAC Name]
(1R,4R)-4-(4-(7-AMINO-2-(BENZO[D][1,2,3]THIADIAZOL-7-YL)-3-CHLOROFURO[2,3-C]PYRIDIN-4-YL)-1H-PYRAZOL-1-YL)CYCLOHEXANOL
1326712-16-6 [RN]
1UO
ABC-FP
MFCD26142933
TAK1 INHIBITOR
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 722.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.8±3.0 kJ/mol
    Flash Point: 390.8±35.7 °C
    Index of Refraction: 1.860
    Molar Refractivity: 121.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.80
    ACD/LogD (pH 5.5): 3.44
    ACD/BCF (pH 5.5): 240.52
    ACD/KOC (pH 5.5): 1747.40
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 247.64
    ACD/KOC (pH 7.4): 1799.11
    Polar Surface Area: 144 Å2
    Polarizability: 48.1±0.5 10-24cm3
    Surface Tension: 77.3±7.0 dyne/cm
    Molar Volume: 269.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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