ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-ylmethyl)-N-(1-{[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]amino}-1-oxo-2-hexanyl)-1,3-dioxo-5-isoindolinecarboxamide | C36H40N4O8

2-(1,3-Benzodioxol-5-ylmethyl)-N-(1-{[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]amino}-1-oxo-2-hexanyl)-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC36H40N4O8
  • Average mass656.725 Da
  • Monoisotopic mass656.284607 Da
  • ChemSpider ID121056496

More details:

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

1H-Isoindole-5-carboxamide, 2-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-N-[1-[[[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]amino]carbonyl]pentyl]-1,3-dioxo- [ACD/Index Name]
2-(1,3-Benzodioxol-5-ylmethyl)-N-(1-{[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]amino}-1-oxo-2-hexanyl)-1,3-dioxo-5-isoindolincarboxamid [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-ylmethyl)-N-(1-{[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]amino}-1-oxo-2-hexanyl)-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-ylméthyl)-N-(1-{[2-(4-méthoxyphényl)-2-(4-morpholinyl)éthyl]amino}-1-oxo-2-hexanyl)-1,3-dioxo-5-isoindolinecarboxamide [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: 870.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 480.0±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 175.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 61.22
ACD/KOC (pH 5.5): 488.37
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.11
ACD/KOC (pH 7.4): 1388.84
Polar Surface Area: 136 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 500.8±3.0 cm3

Click to predict properties on the Chemicalize site


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