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Search term: XWIOKNKXFLGGIQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Butyl-4-(methylsulfanyl)-1-[(2'-{[(3-pyridinylmethyl)carbamoyl]sulfamoyl}-4-biphenylyl)methyl]-1H-imidazole-5-carboxylic acid | C29H31N5O5S2

2-Butyl-4-(methylsulfanyl)-1-[(2'-{[(3-pyridinylmethyl)carbamoyl]sulfamoyl}-4-biphenylyl)methyl]-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC29H31N5O5S2
  • Average mass593.717 Da
  • Monoisotopic mass593.176636 Da
  • ChemSpider ID8569119

More details:

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

1H-Imidazole-5-carboxylic acid, 2-butyl-4-(methylthio)-1-[[2'-[[[[(3-pyridinylmethyl)amino]carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
2-Butyl-4-(methylsulfanyl)-1-[(2'-{[(3-pyridinylmethyl)carbamoyl]sulfamoyl}-4-biphenylyl)methyl]-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-Butyl-4-(methylsulfanyl)-1-[(2'-{[(3-pyridinylmethyl)carbamoyl]sulfamoyl}-4-biphenylyl)methyl]-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
2-butyl-4-(methylsulfanyl)-1-[(2'-{[(pyridin-3-ylmethyl)carbamoyl]sulfamoyl}biphenyl-4-yl)methyl]-1H-imidazole-5-carboxylic acid
Acide 2-butyl-4-(méthylsulfanyl)-1-[(2'-{[(3-pyridinylméthyl)carbamoyl]sulfamoyl}-4-biphénylyl)méthyl]-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
2-butyl-4(methylthio)-1-[[2'-[[[[(3-pyridylmethyl)amino]carbonyl]amino]sulfonyl]-(1,1'-biphenyl)-4yl]methyl]-1H-imidazole-5-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL311847/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 161.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 6.80
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 439.1±7.0 cm3

Click to predict properties on the Chemicalize site


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