ChemSpider 2D Image | 4-[3-{[2-(1,3-Dioxan-2-yl)ethyl]amino}-2-({[2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phenyl acetate | C34H35N3O9

4-[3-{[2-(1,3-Dioxan-2-yl)ethyl]amino}-2-({[2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phenyl acetate

  • Molecular FormulaC34H35N3O9
  • Average mass629.656 Da
  • Monoisotopic mass629.237305 Da
  • ChemSpider ID121057425

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[[2-(1,3-dioxan-2-yl)ethyl]amino]-2-oxoethyl]-2,3-dihydro-2-[(4-methoxyphenyl)methyl]-1,3-dioxo- [ACD/Index Name]
4-[3-{[2-(1,3-Dioxan-2-yl)ethyl]amino}-2-({[2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phenyl acetate [ACD/IUPAC Name]
4-[3-{[2-(1,3-Dioxan-2-yl)ethyl]amino}-2-({[2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxopropyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[3-{[2-(1,3-dioxan-2-yl)éthyl]amino}-2-({[2-(4-méthoxybenzyl)-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: 873.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 482.1±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.69
ACD/KOC (pH 5.5): 695.94
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.69
ACD/KOC (pH 7.4): 695.93
Polar Surface Area: 150 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 480.5±3.0 cm3

Click to predict properties on the Chemicalize site


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