ChemSpider 2D Image | 5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole | C17H19N3O4S

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

  • Molecular FormulaC17H19N3O4S
  • Average mass361.415 Da
  • Monoisotopic mass361.109619 Da
  • ChemSpider ID30647204

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole, 5-methoxy-2-[(S)-[(1S)-(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl]- [ACD/Index Name]
5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole [ACD/IUPAC Name]
5-Méthoxy-2-{(S)-[(4-méthoxy-3,5-diméthyl-1-oxydo-2-pyridinyl)méthyl]sulfinyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
(S)-4-Methoxy-2-(((5-methoxy-1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)-3,5-dimethylpyridine 1-oxide
176219-04-8 [RN]
OMEPRAZOLE-N-OXIDE
UNII-H3W21KSG6H

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): 72.87
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.72
ACD/KOC (pH 7.4): 70.38
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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