ChemSpider 2D Image | 4-Butyl-N-(4-{[(2,4,4-trimethyl-2-pentanyl)carbamoyl]sulfamoyl}benzyl)cyclohexanecarboxamide | C27H45N3O4S

4-Butyl-N-(4-{[(2,4,4-trimethyl-2-pentanyl)carbamoyl]sulfamoyl}benzyl)cyclohexanecarboxamide

  • Molecular FormulaC27H45N3O4S
  • Average mass507.729 Da
  • Monoisotopic mass507.313080 Da
  • ChemSpider ID66553230

More details:

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

4-Butyl-N-(4-{[(2,4,4-trimethyl-2-pentanyl)carbamoyl]sulfamoyl}benzyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
4-Butyl-N-(4-{[(2,4,4-trimethyl-2-pentanyl)carbamoyl]sulfamoyl}benzyl)cyclohexanecarboxamide [ACD/IUPAC Name]
4-Butyl-N-(4-{[(2,4,4-triméthyl-2-pentanyl)carbamoyl]sulfamoyl}benzyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, 4-butyl-N-[[4-[[[[(1,1,3,3-tetramethylbutyl)amino]carbonyl]amino]sulfonyl]phenyl]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.520
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1115.49
ACD/KOC (pH 5.5): 2922.73
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 104.19
ACD/KOC (pH 7.4): 273.01
Polar Surface Area: 113 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 466.5±3.0 cm3

Click to predict properties on the Chemicalize site


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