ChemSpider 2D Image | Ro 46-8443 | C31H35N3O8S

Ro 46-8443

  • Molecular FormulaC31H35N3O8S
  • Average mass609.690 Da
  • Monoisotopic mass609.214478 Da
  • ChemSpider ID4471576

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

175556-12-4 [RN]
4-tert-butyl-N-{6-[(2R)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl}benzene-1-sulfonamide
4-tert-butyl-N-{6-[(2R)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl}benzenesulfonamide
Benzenesulfonamide, N-[6-[(2R)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)-4-pyrimidinyl]-4-(1,1-dimethylethyl)- [ACD/Index Name]
N-{6-[(2R)-2,3-Dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)-4-pyrimidinyl}-4-(2-methyl-2-propanyl)benzenesulfonamide [ACD/IUPAC Name]
N-{6-[(2R)-2,3-Dihydroxypropoxy]-5-(2-méthoxyphénoxy)-2-(4-méthoxyphényl)-4-pyrimidinyl}-4-(2-méthyl-2-propanyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{6-[(2R)-2,3-Dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)-4-pyrimidinyl}-4-(2-methyl-2-propanyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Ro 46-8443
(R)-4-(tert-Butyl)-N-(6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl)benzenesulfonamide
4-tert-butyl-N-[6-[(2R)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 683.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.3±3.0 kJ/mol
    Flash Point: 367.0±34.3 °C
    Index of Refraction: 1.602
    Molar Refractivity: 160.6±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 2.02
    ACD/BCF (pH 5.5): 7.42
    ACD/KOC (pH 5.5): 44.36
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 4.95
    ACD/KOC (pH 7.4): 29.58
    Polar Surface Area: 158 Å2
    Polarizability: 63.7±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 468.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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