ChemSpider 2D Image | 6-[({[4-(2-{[(4-Butylcyclohexyl)carbonyl]amino}ethyl)phenyl]sulfonyl}carbamoyl)amino]hexanoic acid | C26H41N3O6S

6-[({[4-(2-{[(4-Butylcyclohexyl)carbonyl]amino}ethyl)phenyl]sulfonyl}carbamoyl)amino]hexanoic acid

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID66190043

More details:

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

6-[({[4-(2-{[(4-Butylcyclohexyl)carbonyl]amino}ethyl)phenyl]sulfonyl}carbamoyl)amino]hexanoic acid [ACD/IUPAC Name]
6-[({[4-(2-{[(4-Butylcyclohexyl)carbonyl]amino}ethyl)phenyl]sulfonyl}carbamoyl)amino]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[({[4-(2-{[(4-butylcyclohexyl)carbonyl]amino}éthyl)phényl]sulfonyl}carbamoyl)amino]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[[[4-[2-[[(4-butylcyclohexyl)carbonyl]amino]ethyl]phenyl]sulfonyl]amino]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.538
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 12.39
ACD/KOC (pH 5.5): 72.41
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 444.5±3.0 cm3

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