ChemSpider 2D Image | N-[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]-Nalpha-{[2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phenylalaninamide | C39H38N4O8

N-[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]-Nα-{[2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phenylalaninamide

  • Molecular FormulaC39H38N4O8
  • Average mass690.741 Da
  • Monoisotopic mass690.268982 Da
  • ChemSpider ID121055307

More details:

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

1H-Isoindole-5-carboxamide, N-[2-[[2-(1,3-benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-2,3-dihydro-2-[(4-methoxyphenyl)methyl]-1,3-dioxo- [ACD/Index Name]
N-[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]-Nα-{[2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phenylalaninamid [German] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]-Nα-{[2-(4-methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phenylalaninamide [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)éthyl]-Nα-{[2-(4-méthoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phénylalaninamide [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: 924.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 512.6±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 186.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 174.81
ACD/KOC (pH 5.5): 1159.38
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.31
ACD/KOC (pH 7.4): 2237.15
Polar Surface Area: 136 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 512.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement