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Search term: CVNZCGIBFCTCBE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-({2'-[(tert-butoxycarbonyl)sulfamoyl]biphenyl-4-yl}methyl)-1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid | C27H33N3O6S

5-({2'-[(tert-butoxycarbonyl)sulfamoyl]biphenyl-4-yl}methyl)-1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID9974950

More details:

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

1-Butyl-3-methyl-5-{[2'-({[(2-methyl-2-propanyl)oxy]carbonyl}sulfamoyl)-4-biphenylyl]methyl}-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-Butyl-3-methyl-5-{[2'-({[(2-methyl-2-propanyl)oxy]carbonyl}sulfamoyl)-4-biphenylyl]methyl}-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-butyl-5-[[2'-[[[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-3-methyl- [ACD/Index Name]
5-({2'-[(tert-butoxycarbonyl)sulfamoyl]biphenyl-4-yl}methyl)-1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
Acide 1-butyl-3-méthyl-5-{[2'-({[(2-méthyl-2-propanyl)oxy]carbonyl}sulfamoyl)-4-biphénylyl]méthyl}-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1-Butyl-3-methyl-5-(2'-sulfamoyl-biphenyl-4-ylmethyl)-1H-pyrazole-4-carboxylic acid - Formic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL434888/

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: 1.593
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 17.12
ACD/KOC (pH 5.5): 36.20
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 2.93
Polar Surface Area: 136 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 421.0±7.0 cm3

Click to predict properties on the Chemicalize site


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