ChemSpider 2D Image | Nalpha-{[2-(2-Furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(phenylsulfonyl)-2-(3-pyridinyl)ethyl]tyrosinamide | C36H30N4O8S

Nα-{[2-(2-Furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(phenylsulfonyl)-2-(3-pyridinyl)ethyl]tyrosinamide

  • Molecular FormulaC36H30N4O8S
  • Average mass678.710 Da
  • Monoisotopic mass678.178406 Da
  • ChemSpider ID121193536

More details:

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

1H-Isoindole-5-carboxamide, 2-(2-furanylmethyl)-2,3-dihydro-N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-[[2-(phenylsulfonyl)-2-(3-pyridinyl)ethyl]amino]ethyl]-1,3-dioxo- [ACD/Index Name]
Nα-{[2-(2-Furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(phenylsulfonyl)-2-(3-pyridinyl)ethyl]tyrosinamid [German] [ACD/IUPAC Name]
Nα-{[2-(2-Furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(phenylsulfonyl)-2-(3-pyridinyl)ethyl]tyrosinamide [ACD/IUPAC Name]
Nα-{[2-(2-Furylméthyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(phénylsulfonyl)-2-(3-pyridinyl)éthyl]tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1018.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.9±3.0 kJ/mol
Flash Point: 569.9±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.69
ACD/KOC (pH 5.5): 664.07
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.88
ACD/KOC (pH 7.4): 666.11
Polar Surface Area: 184 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 476.3±3.0 cm3

Click to predict properties on the Chemicalize site


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