ChemSpider 2D Image | N-[2-(3-Chlorophenyl)-2-(dimethylamino)ethyl]-Nalpha-{[1,3-dioxo-2-(2-pyridinylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phenylalaninamide | C34H32ClN5O4

N-[2-(3-Chlorophenyl)-2-(dimethylamino)ethyl]-Nα-{[1,3-dioxo-2-(2-pyridinylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phenylalaninamide

  • Molecular FormulaC34H32ClN5O4
  • Average mass610.102 Da
  • Monoisotopic mass609.214294 Da
  • ChemSpider ID121047813

More details:

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

1H-Isoindole-5-carboxamide, N-[2-[[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-2,3-dihydro-1,3-dioxo-2-(2-pyridinylmethyl)- [ACD/Index Name]
N-[2-(3-Chlorophenyl)-2-(dimethylamino)ethyl]-Nα-{[1,3-dioxo-2-(2-pyridinylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phenylalaninamide [ACD/IUPAC Name]
N-[2-(3-Chlorophényl)-2-(diméthylamino)éthyl]-Nα-{[1,3-dioxo-2-(2-pyridinylméthyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phénylalaninamide [French] [ACD/IUPAC Name]
N-[2-(3-Chlorphenyl)-2-(dimethylamino)ethyl]-Nα-{[1,3-dioxo-2-(2-pyridinylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}phenylalaninamid [German] [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: 831.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 456.8±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 167.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 24.44
ACD/KOC (pH 5.5): 115.87
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 715.94
ACD/KOC (pH 7.4): 3393.82
Polar Surface Area: 112 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 461.2±3.0 cm3

Click to predict properties on the Chemicalize site


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