ChemSpider 2D Image | Ilorasertib | C25H21FN6O2S

Ilorasertib

  • Molecular FormulaC25H21FN6O2S
  • Average mass488.537 Da
  • Monoisotopic mass488.143066 Da
  • ChemSpider ID24809095

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

Ilorasertib [INN] [USAN]
1-(4-{4-Amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea [ACD/IUPAC Name]
1-(4-{4-Amino-7-[1-(2-hydroxyéthyl)-1H-pyrazol-4-yl]thiéno[3,2-c]pyridin-3-yl}phényl)-3-(3-fluorophényl)urée [French] [ACD/IUPAC Name]
1-(4-{4-Amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorphenyl)harnstoff [German] [ACD/IUPAC Name]
1227939-82-3 [RN]
3-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-1-(3-fluorophenyl)urea
6L5D03D975
A-968660.0
Abbott-968660
ABT-348
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9670 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 675.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.2±3.0 kJ/mol
    Flash Point: 362.4±31.5 °C
    Index of Refraction: 1.735
    Molar Refractivity: 132.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.50
    ACD/LogD (pH 5.5): 3.44
    ACD/BCF (pH 5.5): 175.96
    ACD/KOC (pH 5.5): 954.87
    ACD/LogD (pH 7.4): 4.02
    ACD/BCF (pH 7.4): 666.65
    ACD/KOC (pH 7.4): 3617.70
    Polar Surface Area: 146 Å2
    Polarizability: 52.5±0.5 10-24cm3
    Surface Tension: 62.0±7.0 dyne/cm
    Molar Volume: 330.4±7.0 cm3

    Click to predict properties on the Chemicalize site






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