ChemSpider 2D Image | Methyl (5-{[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-1H-benzimidazol-2-yl)carbamate | C23H17F4N5O3S

Methyl (5-{[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-1H-benzimidazol-2-yl)carbamate

  • Molecular FormulaC23H17F4N5O3S
  • Average mass519.471 Da
  • Monoisotopic mass519.098816 Da
  • ChemSpider ID8361771

More details:

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

(5-{[4-({[2-Fluoro-5-(trifluorométhyl)phényl]carbamoyl}amino)phényl]sulfanyl}-1H-benzimidazol-2-yl)carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[6-[[4-[[[[2-fluoro-5-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenyl]thio]-1H-benzimidazol-2-yl]-, methyl ester [ACD/Index Name]
Methyl (5-{[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-1H-benzimidazol-2-yl)carbamate [ACD/IUPAC Name]
Methyl-(5-{[4-({[2-fluor-5-(trifluormethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-1H-benzimidazol-2-yl)carbamat [German] [ACD/IUPAC Name]
benzimidazole-urea, 34
methyl N-(5-(4-((2-fluoro-5-(trifluoromethyl)phenyl)aminocarbonylamino)phenylthio)-1H-benzimidazol-2-yl)carbamate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 4837.43
ACD/KOC (pH 5.5): 12874.65
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8376.50
ACD/KOC (pH 7.4): 22293.78
Polar Surface Area: 133 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 335.4±5.0 cm3

Click to predict properties on the Chemicalize site


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