ChemSpider 2D Image | isavuconazole-d4 | C22H13D4F2N5OS

isavuconazole-d4

  • Molecular FormulaC22H13D4F2N5OS
  • Average mass441.490 Da
  • Monoisotopic mass441.137299 Da
  • ChemSpider ID48061232

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1346598-58-0 [RN]
4-{2-[(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-1,3-thiazol-4-yl}(2H4)benzonitrile [ACD/IUPAC Name]
4-{2-[(2R,3R)-3-(2,5-Difluorophényl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-1,3-thiazol-4-yl}(2H4)benzonitrile [French] [ACD/IUPAC Name]
4-{2-[(2R,3R)-3-(2,5-Difluorphenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-1,3-thiazol-4-yl}(2H4)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile-2,3,5,6-d4, 4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]- [ACD/Index Name]
isavuconazole-d4
2,3,5,6-tetradeuterio-4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
Isavuconazole D4
Isavuconazole-D4missing

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 678.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.5±3.0 kJ/mol
    Flash Point: 363.8±34.3 °C
    Index of Refraction: 1.666
    Molar Refractivity: 117.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 3.38
    ACD/BCF (pH 5.5): 218.15
    ACD/KOC (pH 5.5): 1641.76
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 218.80
    ACD/KOC (pH 7.4): 1646.63
    Polar Surface Area: 116 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 51.7±7.0 dyne/cm
    Molar Volume: 316.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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