ChemSpider 2D Image | 2-{[1-(3-Bromo-4-fluorobenzyl)-1H-indol-3-yl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide | C21H17BrFN3O4S

2-{[1-(3-Bromo-4-fluorobenzyl)-1H-indol-3-yl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

  • Molecular FormulaC21H17BrFN3O4S
  • Average mass506.345 Da
  • Monoisotopic mass505.010712 Da
  • ChemSpider ID26345340

More details:

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

2-{[1-(3-Brom-4-fluorbenzyl)-1H-indol-3-yl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamid [German] [ACD/IUPAC Name]
2-{[1-(3-Bromo-4-fluorobenzyl)-1H-indol-3-yl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide [ACD/IUPAC Name]
2-{[1-(3-Bromo-4-fluorobenzyl)-1H-indol-3-yl]sulfonyl}-N-(5-méthyl-1,2-oxazol-3-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[1-[(3-bromo-4-fluorophenyl)methyl]-1H-indol-3-yl]sulfonyl]-N-(5-methyl-3-isoxazolyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 789.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.3±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.88
ACD/KOC (pH 5.5): 1373.86
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.77
ACD/KOC (pH 7.4): 1372.95
Polar Surface Area: 103 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 315.2±7.0 cm3

Click to predict properties on the Chemicalize site


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