ChemSpider 2D Image | (5-{[2-(4-Chlorophenoxy)ethyl][(4-fluorophenyl)sulfonyl]amino}-2-propyl-1H-benzimidazol-1-yl)acetic acid | C26H25ClFN3O5S

(5-{[2-(4-Chlorophenoxy)ethyl][(4-fluorophenyl)sulfonyl]amino}-2-propyl-1H-benzimidazol-1-yl)acetic acid

  • Molecular FormulaC26H25ClFN3O5S
  • Average mass546.010 Da
  • Monoisotopic mass545.118774 Da
  • ChemSpider ID9895612

More details:

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

(5-{[2-(4-Chlorophenoxy)ethyl][(4-fluorophenyl)sulfonyl]amino}-2-propyl-1H-benzimidazol-1-yl)acetic acid [ACD/IUPAC Name]
(5-{[2-(4-Chlorphenoxy)ethyl][(4-fluorphenyl)sulfonyl]amino}-2-propyl-1H-benzimidazol-1-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Benzimidazole-1-acetic acid, 5-[[2-(4-chlorophenoxy)ethyl][(4-fluorophenyl)sulfonyl]amino]-2-propyl- [ACD/Index Name]
Acide (5-{[2-(4-chlorophénoxy)éthyl][(4-fluorophényl)sulfonyl]amino}-2-propyl-1H-benzimidazol-1-yl)acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 406.2±35.7 °C
Index of Refraction: 1.628
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 64.59
ACD/KOC (pH 5.5): 224.39
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 9.01
Polar Surface Area: 110 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 395.5±7.0 cm3

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