ChemSpider 2D Image | 4-[3-{[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butyl]amino}-2-({[2-(2-methyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phenyl acetate | C36H39N3O8

4-[3-{[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butyl]amino}-2-({[2-(2-methyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phenyl acetate

  • Molecular FormulaC36H39N3O8
  • Average mass641.710 Da
  • Monoisotopic mass641.273743 Da
  • ChemSpider ID121027557

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]amino]-2-oxoethyl]-2-(1,1-dimethylethyl)-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
4-[3-{[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butyl]amino}-2-({[2-(2-methyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phenyl acetate [ACD/IUPAC Name]
4-[3-{[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butyl]amino}-2-({[2-(2-methyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[3-{[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]amino}-2-({[2-(2-méthyl-2-propanyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 856.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 471.6±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 171.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 653.06
ACD/KOC (pH 5.5): 3602.03
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 653.06
ACD/KOC (pH 7.4): 3602.00
Polar Surface Area: 140 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 502.5±3.0 cm3

Click to predict properties on the Chemicalize site


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