ChemSpider 2D Image | ML169 | C21H17BrFN3O4S

ML169

  • Molecular FormulaC21H17BrFN3O4S
  • Average mass506.345 Da
  • Monoisotopic mass505.010712 Da
  • ChemSpider ID26356909

More details:

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

1222878-02-5 [RN]
2-[[1-[(5-Bromo-2-fluorophenyl)methyl]-1H-indol-3-yl]sulfonyl]-N-(5-methyl-3-isoxazolyl)-acetamide
2-{[1-(5-Brom-2-fluorbenzyl)-1H-indol-3-yl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamid [German] [ACD/IUPAC Name]
2-{[1-(5-Bromo-2-fluorobenzyl)-1H-indol-3-yl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide [ACD/IUPAC Name]
2-{[1-(5-Bromo-2-fluorobenzyl)-1H-indol-3-yl]sulfonyl}-N-(5-méthyl-1,2-oxazol-3-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[1-[(5-bromo-2-fluorophenyl)methyl]-1H-indol-3-yl]sulfonyl]-N-(5-methyl-3-isoxazolyl)- [ACD/Index Name]
MFCD23704785
ML169
VU0405652
2-[1-(5-bromo-2-fluoro-benzyl)indol-3-yl]sulfonyl-N-(5-methylisoxazol-3-yl)acetamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 784.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.1±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: 2.94
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.88
ACD/KOC (pH 5.5): 1044.80
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.81
ACD/KOC (pH 7.4): 1044.11
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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