ChemSpider 2D Image | Ethyl N-({[4-({[(4-butylcyclohexyl)carbonyl]amino}methyl)phenyl]sulfonyl}carbamoyl)-N-ethyl-beta-alaninate | C26H41N3O6S

Ethyl N-({[4-({[(4-butylcyclohexyl)carbonyl]amino}methyl)phenyl]sulfonyl}carbamoyl)-N-ethyl-β-alaninate

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID66135663

More details:

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

Ethyl N-({[4-({[(4-butylcyclohexyl)carbonyl]amino}methyl)phenyl]sulfonyl}carbamoyl)-N-ethyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-({[4-({[(4-butylcyclohexyl)carbonyl]amino}methyl)phenyl]sulfonyl}carbamoyl)-N-ethyl-β-alaninat [German] [ACD/IUPAC Name]
N-({[4-({[(4-Butylcyclohexyl)carbonyl]amino}méthyl)phényl]sulfonyl}carbamoyl)-N-éthyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[[[4-[[[(4-butylcyclohexyl)carbonyl]amino]methyl]phenyl]sulfonyl]amino]carbonyl]-N-ethyl-, ethyl ester [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: 1.529
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 105.06
ACD/KOC (pH 5.5): 596.55
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 7.40
ACD/KOC (pH 7.4): 42.00
Polar Surface Area: 130 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 451.8±3.0 cm3

Click to predict properties on the Chemicalize site


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