ChemSpider 2D Image | (5-{[3-(4-Acetoxyphenyl)-1-{[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid | C34H35N3O10

(5-{[3-(4-Acetoxyphenyl)-1-{[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID121102067

More details:

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

(5-{[3-(4-Acetoxyphenyl)-1-{[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid [ACD/IUPAC Name]
(5-{[3-(4-Acetoxyphenyl)-1-{[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[1-[[4-(acetyloxy)phenyl]methyl]-2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-2-oxoethyl]amino]carbonyl]-1,3-dihydro-1,3-dioxo- [ACD/Index Name]
Acide (5-{[3-(4-acétoxyphényl)-1-{[2-(3,4-diméthoxyphényl)-2-méthylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétique [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: 895.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 495.2±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.05
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 488.4±3.0 cm3

Click to predict properties on the Chemicalize site


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