ChemSpider 2D Image | N-[2-(Dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-Nalpha-{[2-(2-furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamide | C36H38N4O9

N-[2-(Dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-Nα-{[2-(2-furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamide

  • Molecular FormulaC36H38N4O9
  • Average mass670.708 Da
  • Monoisotopic mass670.263855 Da
  • ChemSpider ID121193067

More details:

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

1H-Isoindole-5-carboxamide, N-[2-[[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-2-(2-furanylmethyl)-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
N-[2-(Dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-Nα-{[2-(2-furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-Nα-{[2-(2-furylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)-2-(3,4,5-triméthoxyphényl)éthyl]-Nα-{[2-(2-furylméthyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosinamide [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: 887.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 490.6±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 178.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 23.13
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 54.01
ACD/KOC (pH 7.4): 546.68
Polar Surface Area: 160 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 509.2±3.0 cm3

Click to predict properties on the Chemicalize site


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