ChemSpider 2D Image | 1-({2'-[(Cyclopropylcarbonyl)sulfamoyl]-4-biphenylyl}methyl)-2-propyl-4-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1H-imidazole-5-carboxylic acid | C34H38N6O5S

1-({2'-[(Cyclopropylcarbonyl)sulfamoyl]-4-biphenylyl}methyl)-2-propyl-4-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC34H38N6O5S
  • Average mass642.768 Da
  • Monoisotopic mass642.262451 Da
  • ChemSpider ID23163179

More details:

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

1-({2'-[(Cyclopropylcarbonyl)sulfamoyl]-4-biphenylyl}methyl)-2-propyl-4-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-({2'-[(Cyclopropylcarbonyl)sulfamoyl]-4-biphenylyl}methyl)-2-propyl-4-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
1-({2'-[(cyclopropylcarbonyl)sulfamoyl]biphenyl-4-yl}methyl)-2-propyl-4-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-imidazole-5-carboxylic acid
1H-Imidazole-5-carboxylic acid, 1-[[2'-[[(cyclopropylcarbonyl)amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-2-propyl-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]- [ACD/Index Name]
Acide 1-({2'-[(cyclopropylcarbonyl)sulfamoyl]-4-biphénylyl}méthyl)-2-propyl-4-{[4-(2-pyridinyl)-1-pipérazinyl]méthyl}-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
3-[2'-(Cyclopropanecarbonyl-sulfamoyl)-biphenyl-4-ylmethyl]-2-propyl-5-(4-pyridin-2-yl-piperazin-1-ylmethyl)-3H-imidazole-4-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL409170/

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: 1.686
Molar Refractivity: 177.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.96
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 146 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 465.4±7.0 cm3

Click to predict properties on the Chemicalize site


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