ChemSpider 2D Image | ZILEUTON-D4 | C11H8D4N2O2S

ZILEUTON-D4

  • Molecular FormulaC11H8D4N2O2S
  • Average mass240.315 Da
  • Monoisotopic mass240.087051 Da
  • ChemSpider ID23937382

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[1-(1-Benzothiophen-2-yl)(2H4)ethyl]-1-hydroxyharnstoff [German] [ACD/IUPAC Name]
1-[1-(1-Benzothiophen-2-yl)(2H4)ethyl]-1-hydroxyurea [ACD/IUPAC Name]
1-[1-(1-Benzothiophén-2-yl)(2H4)éthyl]-1-hydroxyurée [French] [ACD/IUPAC Name]
1189878-76-9 [RN]
Urea, N-(1-benzo[b]thien-2-ylethyl-1,2,2,2-d4)-N-hydroxy- [ACD/Index Name]
ZILEUTON-D4
(?)-Zileuton-d4 (ethyl-d4)
N-[1-(1-Benzothiophen-2-yl)(2H4)ethyl]-N-hydroxyurea

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

Density: 1.4±0.1 g/cm3
Boiling Point: 449.4±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 225.6±29.3 °C
Index of Refraction: 1.704
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.30
ACD/KOC (pH 5.5): 541.79
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.90
ACD/KOC (pH 7.4): 537.06
Polar Surface Area: 95 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 168.7±3.0 cm3

Click to predict properties on the Chemicalize site


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