ChemSpider 2D Image | Hydroxy Bosentan | C27H29N5O7S

Hydroxy Bosentan

  • Molecular FormulaC27H29N5O7S
  • Average mass567.614 Da
  • Monoisotopic mass567.178772 Da
  • ChemSpider ID4932189

More details:

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

253688-60-7 [RN]
Benzenesulfonamide, 4-(2-hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]- [ACD/Index Name]
Hydroxy Bosentan
N-[6-(2-Hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]-4-(1-hydroxy-2-methyl-2-propanyl)benzenesulfonamide [ACD/IUPAC Name]
N-[6-(2-Hydroxyéthoxy)-5-(2-méthoxyphénoxy)-2,2'-bipyrimidin-4-yl]-4-(1-hydroxy-2-méthyl-2-propanyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-[6-(2-Hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]-4-(1-hydroxy-2-methyl-2-propanyl)benzolsulfonamid [German] [ACD/IUPAC Name]
1065472-91-4 [RN]
1246817-57-1 [RN]
34540-22-2 [RN]
4-(1-HYDROXY-2-METHYLPROPAN-2-YL)-N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2-(PYRIMIDIN-2-YL)PYRIMIDIN-4-YL]BENZENESULFONAMIDE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 783.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 119.6±3.0 kJ/mol
    Flash Point: 427.9±35.7 °C
    Index of Refraction: 1.620
    Molar Refractivity: 145.2±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: -0.70
    ACD/LogD (pH 5.5): 0.45
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.51
    ACD/LogD (pH 7.4): 0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.70
    Polar Surface Area: 174 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 65.9±3.0 dyne/cm
    Molar Volume: 413.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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