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Search term: OPKBKIRJNSQTDY-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl N-{[2-butyl-4-(methylsulfanyl)-1-({2'-[(propylcarbamoyl)sulfamoyl]-4-biphenylyl}methyl)-1H-imidazol-5-yl]carbonyl}glycinate | C29H37N5O6S2

Methyl N-{[2-butyl-4-(methylsulfanyl)-1-({2'-[(propylcarbamoyl)sulfamoyl]-4-biphenylyl}methyl)-1H-imidazol-5-yl]carbonyl}glycinate

  • Molecular FormulaC29H37N5O6S2
  • Average mass615.764 Da
  • Monoisotopic mass615.218506 Da
  • ChemSpider ID8659331

More details:

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

Glycine, N-[[2-butyl-4-(methylthio)-1-[[2'-[[[(propylamino)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazol-5-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[2-butyl-4-(methylsulfanyl)-1-({2'-[(propylcarbamoyl)sulfamoyl]-4-biphenylyl}methyl)-1H-imidazol-5-yl]carbonyl}glycinate [ACD/IUPAC Name]
methyl N-{[2-butyl-4-(methylsulfanyl)-1-({2'-[(propylcarbamoyl)sulfamoyl]biphenyl-4-yl}methyl)-1H-imidazol-5-yl]carbonyl}glycinate
Methyl-N-{[2-butyl-4-(methylsulfanyl)-1-({2'-[(propylcarbamoyl)sulfamoyl]-4-biphenylyl}methyl)-1H-imidazol-5-yl]carbonyl}glycinat [German] [ACD/IUPAC Name]
N-{[2-Butyl-4-(méthylsulfanyl)-1-({2'-[(propylcarbamoyl)sulfamoyl]-4-biphénylyl}méthyl)-1H-imidazol-5-yl]carbonyl}glycinate de méthyle [French] [ACD/IUPAC Name]
N-[[2-Butyl-4-(methylthio)-1-[[2'-[[[(propylamino)carbonyl]amino]sulfonyl(1,1'-biphenyl)-4-yl]-1H-imidazol-5-yl]carbonyl]glycine methylester

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: 1.618
Molar Refractivity: 165.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 59.33
ACD/KOC (pH 5.5): 356.88
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 33.64
Polar Surface Area: 182 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 472.3±7.0 cm3

Click to predict properties on the Chemicalize site


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