ChemSpider 2D Image | 4-Bromo-N-{6-methoxy-1,3-bis[(~2~H_3_)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-2-methylbenzenesulfonamide | C17H12D6BrN3O4S

4-Bromo-N-{6-methoxy-1,3-bis[(2H3)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-2-methylbenzenesulfonamide

  • Molecular FormulaC17H12D6BrN3O4S
  • Average mass446.349 Da
  • Monoisotopic mass445.057800 Da
  • ChemSpider ID58779518
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Brom-N-{6-methoxy-1,3-bis[(2H3)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-2-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-Bromo-N-{6-methoxy-1,3-bis[(2H3)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-2-methylbenzenesulfonamide [ACD/IUPAC Name]
4-Bromo-N-{6-méthoxy-1,3-bis[(2H3)méthyl]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-2-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-bromo-N-[2,3-dihydro-6-methoxy-1,3-di(methyl-d3)-2-oxo-1H-benzimidazol-5-yl]-2-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 573.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.8±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 102.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.44
ACD/KOC (pH 5.5): 1405.68
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 167.74
ACD/KOC (pH 7.4): 1343.93
Polar Surface Area: 87 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 282.7±3.0 cm3

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