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Search term: LXJGGUCREHVQTE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{[2'-(Benzoylsulfamoyl)-4-biphenylyl]methyl}-2-butyl-4-(methylsulfanyl)-1H-imidazole-5-carboxylic acid | C29H29N3O5S2

1-{[2'-(Benzoylsulfamoyl)-4-biphenylyl]methyl}-2-butyl-4-(methylsulfanyl)-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC29H29N3O5S2
  • Average mass563.688 Da
  • Monoisotopic mass563.154846 Da
  • ChemSpider ID8523321

More details:

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

1-{[2'-(Benzoylsulfamoyl)-4-biphenylyl]methyl}-2-butyl-4-(methylsulfanyl)-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-{[2'-(Benzoylsulfamoyl)-4-biphenylyl]methyl}-2-butyl-4-(methylsulfanyl)-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
1-{[2'-(benzoylsulfamoyl)biphenyl-4-yl]methyl}-2-butyl-4-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
1H-Imidazole-5-carboxylic acid, 1-[[2'-[(benzoylamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-2-butyl-4-(methylthio)- [ACD/Index Name]
Acide 1-{[2'-(benzoylsulfamoyl)-4-biphénylyl]méthyl}-2-butyl-4-(méthylsulfanyl)-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
3-(2'-Benzoylsulfamoyl-biphenyl-4-ylmethyl)-2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 155.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 21.85
ACD/KOC (pH 5.5): 46.79
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 2.96
Polar Surface Area: 152 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 429.8±7.0 cm3

Click to predict properties on the Chemicalize site


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