ChemSpider 2D Image | Butyl 3-(butylamino)-4-[(~2~H_5_)phenyloxy]-5-sulfamoylbenzoate | C21H23D5N2O5S

Butyl 3-(butylamino)-4-[(2H5)phenyloxy]-5-sulfamoylbenzoate

  • Molecular FormulaC21H23D5N2O5S
  • Average mass425.553 Da
  • Monoisotopic mass425.203278 Da
  • ChemSpider ID48058528

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(Butylamino)-4-[(2H5)phényloxy]-5-sulfamoylbenzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-(phenyl-d5-oxy)-, butyl ester [ACD/Index Name]
Butyl 3-(butylamino)-4-[(2H5)phenyloxy]-5-sulfamoylbenzoate [ACD/IUPAC Name]
Butyl-3-(butylamino)-4-[(2H5)phenyloxy]-5-sulfamoylbenzoat [German] [ACD/IUPAC Name]
1216685-32-3 [RN]
Bumetanide-d5 Butyl Ester
butyl 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 586.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.6±3.0 kJ/mol
    Flash Point: 308.4±32.9 °C
    Index of Refraction: 1.567
    Molar Refractivity: 112.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 5.60
    ACD/LogD (pH 5.5): 4.91
    ACD/BCF (pH 5.5): 3160.10
    ACD/KOC (pH 5.5): 11106.07
    ACD/LogD (pH 7.4): 4.91
    ACD/BCF (pH 7.4): 3173.13
    ACD/KOC (pH 7.4): 11151.85
    Polar Surface Area: 116 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 345.4±3.0 cm3

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