ChemSpider 2D Image | 2-{[(4-Methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-6-[(~2~H_3_)methyloxy]-1H-benzimidazole | C17H16D3N3O4S

2-{[(4-Methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-6-[(2H3)methyloxy]-1H-benzimidazole

  • Molecular FormulaC17H16D3N3O4S
  • Average mass364.434 Da
  • Monoisotopic mass364.128448 Da
  • ChemSpider ID60958532

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Benzimidazole, 2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl]-6-(methyl-d3-oxy)- [ACD/Index Name]
2-{[(4-Methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-6-[(2H3)methyloxy]-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{[(4-Methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-6-[(2H3)methyloxy]-1H-benzimidazole [ACD/IUPAC Name]
2-{[(4-Méthoxy-3,5-diméthyl-1-oxydo-2-pyridinyl)méthyl]sulfinyl}-6-[(2H3)méthyloxy]-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.6±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 95.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.81
ACD/KOC (pH 5.5): 72.84
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 67.94
Polar Surface Area: 109 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 256.8±7.0 cm3

Click to predict properties on the Chemicalize site


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