ChemSpider 2D Image | 2-{[(4-Ethoxy-3-methyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole | C16H17N3O3S

2-{[(4-Ethoxy-3-methyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole

  • Molecular FormulaC16H17N3O3S
  • Average mass331.389 Da
  • Monoisotopic mass331.099060 Da
  • ChemSpider ID27445340

More details:

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

1H-Benzimidazole, 2-[[(4-ethoxy-3-methyl-1-oxido-2-pyridinyl)methyl]sulfinyl]- [ACD/Index Name]
2-{[(4-Ethoxy-3-methyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{[(4-Ethoxy-3-methyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole [ACD/IUPAC Name]
2-{[(4-Éthoxy-3-méthyl-1-oxydo-2-pyridinyl)méthyl]sulfinyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
213476-12-1 [RN]
Lansoprazole N-Oxide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 48.64
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.49
Polar Surface Area: 100 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 236.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement