ChemSpider 2D Image | 2-[(S)-({3,5-Dimethyl-4-[(~2~H_3_)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-methoxy-1H-benzimidazole | C17H16D3N3O3S

2-[(S)-({3,5-Dimethyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-methoxy-1H-benzimidazole

  • Molecular FormulaC17H16D3N3O3S
  • Average mass348.435 Da
  • Monoisotopic mass348.133545 Da
  • ChemSpider ID62812547
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

1H-Benzimidazole, 2-[(S)-[(1S)-[3,5-dimethyl-4-(methyl-d3-oxy)-2-pyridinyl]methyl]sulfinyl]-6-methoxy- [ACD/Index Name]
2-[(S)-({3,5-Dimethyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-methoxy-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[(S)-({3,5-Dimethyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-methoxy-1H-benzimidazole [ACD/IUPAC Name]
2-[(S)-({3,5-Diméthyl-4-[(2H3)méthyloxy]-2-pyridinyl}méthyl)sulfinyl]-6-méthoxy-1H-benzimidazole [French] [ACD/IUPAC Name]
922731-10-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 600.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 19.77
ACD/KOC (pH 5.5): 282.57
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.15
ACD/KOC (pH 7.4): 316.60
Polar Surface Area: 96 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 251.9±5.0 cm3

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