ChemSpider 2D Image | 2-{[N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(ethylsulfonyl)glycyl](4-methoxybenzyl)amino}-N-isobutylbutanamide | C28H39N3O7S

2-{[N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(ethylsulfonyl)glycyl](4-methoxybenzyl)amino}-N-isobutylbutanamide

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID68318196

More details:

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

2-{[N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(ethylsulfonyl)glycyl](4-methoxybenzyl)amino}-N-isobutylbutanamid [German] [ACD/IUPAC Name]
2-{[N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(ethylsulfonyl)glycyl](4-methoxybenzyl)amino}-N-isobutylbutanamide [ACD/IUPAC Name]
2-{[N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(éthylsulfonyl)glycyl](4-méthoxybenzyl)amino}-N-isobutylbutanamide [French] [ACD/IUPAC Name]
Butanamide, 2-[[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)(ethylsulfonyl)amino]acetyl][(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)- [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: 1.570
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.19
ACD/KOC (pH 5.5): 866.23
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.19
ACD/KOC (pH 7.4): 866.23
Polar Surface Area: 123 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 454.7±3.0 cm3

Click to predict properties on the Chemicalize site


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