ChemSpider 2D Image | 4-[1,3-Benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(butylamino)-1-oxo-2-butanyl]-N-(3-methoxybenzyl)butanamide | C28H39N3O7S

4-[1,3-Benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(butylamino)-1-oxo-2-butanyl]-N-(3-methoxybenzyl)butanamide

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID68318201

More details:

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

4-[1,3-Benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(butylamino)-1-oxo-2-butanyl]-N-(3-methoxybenzyl)butanamid [German] [ACD/IUPAC Name]
4-[1,3-Benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(butylamino)-1-oxo-2-butanyl]-N-(3-methoxybenzyl)butanamide [ACD/IUPAC Name]
4-[1,3-Benzodioxol-5-yl(méthylsulfonyl)amino]-N-[1-(butylamino)-1-oxo-2-butanyl]-N-(3-méthoxybenzyl)butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-[(butylamino)carbonyl]propyl]-N-[(3-methoxyphenyl)methyl]- [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: 1.572
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.73
ACD/KOC (pH 5.5): 938.35
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.73
ACD/KOC (pH 7.4): 938.35
Polar Surface Area: 123 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 453.1±3.0 cm3

Click to predict properties on the Chemicalize site


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