ChemSpider 2D Image | 2-[(R)-{[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}sulfinyl](4,5,6,7-~2~H_4_)-1H-benzimidazole | C16H10D4F3N3O2S

2-[(R)-{[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}sulfinyl](4,5,6,7-2H4)-1H-benzimidazole

  • Molecular FormulaC16H10D4F3N3O2S
  • Average mass373.386 Da
  • Monoisotopic mass373.100983 Da
  • ChemSpider ID115009490

  • 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-4,5,6,7-d4, 2-[(R)-[(1R)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]- [ACD/Index Name]
2-[(R)-{[3-Methyl-4-(2,2,2-trifluorethoxy)-2-pyridinyl]methyl}sulfinyl](4,5,6,7-2H4)-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[(R)-{[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}sulfinyl](4,5,6,7-2H4)-1H-benzimidazole [ACD/IUPAC Name]
2-[(R)-{[3-Méthyl-4-(2,2,2-trifluoroéthoxy)-2-pyridinyl]méthyl}sulfinyl](4,5,6,7-2H4)-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 555.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.9±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 38.85
ACD/KOC (pH 5.5): 475.23
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.50
ACD/KOC (pH 7.4): 483.17
Polar Surface Area: 87 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 245.9±5.0 cm3

Click to predict properties on the Chemicalize site


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