ChemSpider 2D Image | 4-[2,3-Dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phenylethyl)butanamide | C29H41N3O6S

4-[2,3-Dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phenylethyl)butanamide

  • Molecular FormulaC29H41N3O6S
  • Average mass559.717 Da
  • Monoisotopic mass559.271606 Da
  • ChemSpider ID68317292

More details:

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

4-[2,3-Dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phenylethyl)butanamid [German] [ACD/IUPAC Name]
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phenylethyl)butanamide [ACD/IUPAC Name]
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(méthylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phényléthyl)butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(methylsulfonyl)amino]-N-[1-[[(2-methylpropyl)amino]carbonyl]propyl]-N-(2-phenylethyl)- [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: 1.569
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 450.68
ACD/KOC (pH 5.5): 2762.11
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 450.68
ACD/KOC (pH 7.4): 2762.11
Polar Surface Area: 114 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 463.7±3.0 cm3

Click to predict properties on the Chemicalize site


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