ChemSpider 2D Image | 2-Butyl-1-({2'-[(isobutoxycarbonyl)sulfamoyl]-4-biphenylyl}methyl)-4-(methylsulfanyl)-1H-imidazole-5-carboxylic acid | C27H33N3O6S2

2-Butyl-1-({2'-[(isobutoxycarbonyl)sulfamoyl]-4-biphenylyl}methyl)-4-(methylsulfanyl)-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC27H33N3O6S2
  • Average mass559.697 Da
  • Monoisotopic mass559.181091 Da
  • ChemSpider ID8613205

More details:

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

1H-Imidazole-5-carboxylic acid, 2-butyl-1-[[2'-[[[(2-methylpropoxy)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-4-(methylthio)- [ACD/Index Name]
2-Butyl-1-({2'-[(isobutoxycarbonyl)sulfamoyl]-4-biphenylyl}methyl)-4-(methylsulfanyl)-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-Butyl-1-({2'-[(isobutoxycarbonyl)sulfamoyl]-4-biphenylyl}methyl)-4-(methylsulfanyl)-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
2-butyl-1-[(2'-{[(2-methylpropoxy)carbonyl]sulfamoyl}biphenyl-4-yl)methyl]-4-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
Acide 2-butyl-1-({2'-[(isobutoxycarbonyl)sulfamoyl]-4-biphénylyl}méthyl)-4-(méthylsulfanyl)-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL308135/
O=S(=O)(c1ccccc1c1ccc(cc1)Cn1c(c(nc1CCCC)SC)C(=O)O)NC(=O)OCC(C)C

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: 1.614
Molar Refractivity: 150.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 16.72
ACD/KOC (pH 5.5): 35.10
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 3.09
Polar Surface Area: 161 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 430.9±7.0 cm3

Click to predict properties on the Chemicalize site


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