ChemSpider 2D Image | 5-[(4-Bromo-2-chlorophenyl)amino]-4-fluoro-N-{[2-hydroxy(~2~H_4_)ethyl]oxy}-1-methyl-1H-benzimidazole-6-carboxamide | C17H11D4BrClFN4O3

5-[(4-Bromo-2-chlorophenyl)amino]-4-fluoro-N-{[2-hydroxy(2H4)ethyl]oxy}-1-methyl-1H-benzimidazole-6-carboxamide

  • Molecular FormulaC17H11D4BrClFN4O3
  • Average mass461.706 Da
  • Monoisotopic mass460.025116 Da
  • ChemSpider ID115008819

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-[(2-hydroxyethyl-1,1,2,2-d4)oxy]-1-methyl- [ACD/Index Name]
5-[(4-Brom-2-chlorphenyl)amino]-4-fluor-N-{[2-hydroxy(2H4)ethyl]oxy}-1-methyl-1H-benzimidazol-6-carboxamid [German] [ACD/IUPAC Name]
5-[(4-Bromo-2-chlorophenyl)amino]-4-fluoro-N-{[2-hydroxy(2H4)ethyl]oxy}-1-methyl-1H-benzimidazole-6-carboxamide [ACD/IUPAC Name]
5-[(4-Bromo-2-chlorophényl)amino]-4-fluoro-N-{[2-hydroxy(2H4)éthyl]oxy}-1-méthyl-1H-benzimidazole-6-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 434.30
ACD/KOC (pH 5.5): 2687.88
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.43
ACD/KOC (pH 7.4): 2694.88
Polar Surface Area: 88 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 270.5±7.0 cm3

Click to predict properties on the Chemicalize site


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