ChemSpider 2D Image | 2-{[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-5-[(~2~H_3_)methyloxy]-5H-benzimidazole | C17H16D3N3O3S

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

  • Molecular FormulaC17H16D3N3O3S
  • Average mass348.435 Da
  • Monoisotopic mass348.133545 Da
  • ChemSpider ID113394830

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-5-[(2H3)methyloxy]-5H-benzimidazol [German] [ACD/IUPAC Name]
2-{[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-5-[(2H3)methyloxy]-5H-benzimidazole [ACD/IUPAC Name]
2-{[(4-Méthoxy-3,5-diméthyl-2-pyridinyl)méthyl]sulfinyl}-5-[(2H3)méthyloxy]-5H-benzimidazole [French] [ACD/IUPAC Name]
5H-Benzimidazole, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-5-(methyl-d3-oxy)- [ACD/Index 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: 559.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 292.0±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.61
ACD/KOC (pH 5.5): 85.03
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 93.15
Polar Surface Area: 92 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 253.5±7.0 cm3

Click to predict properties on the Chemicalize site


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