ChemSpider 2D Image | {1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl methyl carbonate | C27H31N3O6

{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl methyl carbonate

  • Molecular FormulaC27H31N3O6
  • Average mass493.552 Da
  • Monoisotopic mass493.221283 Da
  • ChemSpider ID23241588

More details:

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

{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl methyl carbonate
{1-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinyl}methyl methyl carbonate [ACD/IUPAC Name]
{1-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinyl}methyl-methylcarbonat [German] [ACD/IUPAC Name]
Carbonate de {1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)éthyl]-4-[phényl(propionyl)amino]-4-pipéridinyl}méthyle et de méthyle [French] [ACD/IUPAC Name]
Carbonic acid, [1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-4-[(1-oxopropyl)phenylamino]-4-piperidinyl]methyl methyl ester [ACD/Index Name]
Carbonic acid 1-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidin-4-ylmethyl ester methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 624.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 37.41
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 83.55
ACD/KOC (pH 7.4): 761.21
Polar Surface Area: 96 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 389.7±3.0 cm3

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