ChemSpider 2D Image | 5-[(2S)-2-{[2-(2-Ethoxyphenoxy)ethyl]amino}(3,3,3-~2~H_3_)propyl]-2-methoxybenzenesulfonamide | C20H25D3N2O5S

5-[(2S)-2-{[2-(2-Ethoxyphenoxy)ethyl]amino}(3,3,3-2H3)propyl]-2-methoxybenzenesulfonamide

  • Molecular FormulaC20H25D3N2O5S
  • Average mass411.530 Da
  • Monoisotopic mass411.190735 Da
  • ChemSpider ID78362008

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

5-[(2S)-2-{[2-(2-Ethoxyphenoxy)ethyl]amino}(3,3,3-2H3)propyl]-2-methoxybenzenesulfonamide [ACD/IUPAC Name]
5-[(2S)-2-{[2-(2-Éthoxyphénoxy)éthyl]amino}(3,3,3-2H3)propyl]-2-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
5-[(2S)-2-{[2-(2-Ethoxyphenoxy)ethyl]amino}(3,3,3-2H3)propyl]-2-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 5-[(2S)-2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl-3,3,3-d3]-2-methoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.9±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 14.83
Polar Surface Area: 108 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 342.8±3.0 cm3

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