ChemSpider 2D Image | 2-{5-[(1-{[2-(6-Fluoro-1-methyl-1H-indol-3-yl)ethyl]amino}-3-hydroxy-1-oxo-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid | C29H31FN4O7

2-{5-[(1-{[2-(6-Fluoro-1-methyl-1H-indol-3-yl)ethyl]amino}-3-hydroxy-1-oxo-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid

  • Molecular FormulaC29H31FN4O7
  • Average mass566.577 Da
  • Monoisotopic mass566.217651 Da
  • ChemSpider ID121009986

More details:

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

2-{5-[(1-{[2-(6-Fluor-1-methyl-1H-indol-3-yl)ethyl]amino}-3-hydroxy-1-oxo-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentansäure [German] [ACD/IUPAC Name]
2-{5-[(1-{[2-(6-Fluoro-1-methyl-1H-indol-3-yl)ethyl]amino}-3-hydroxy-1-oxo-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[2-[[2-(6-fluoro-1-methyl-1H-indol-3-yl)ethyl]amino]-1-(hydroxymethyl)-2-oxoethyl]amino]carbonyl]-1,3-dihydro-α-(2-methylpropyl)-1,3-dioxo- [ACD/Index Name]
Acide 2-{5-[(1-{[2-(6-fluoro-1-méthyl-1H-indol-3-yl)éthyl]amino}-3-hydroxy-1-oxo-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-méthylpentanoïque [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: 874.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.2±3.0 kJ/mol
Flash Point: 482.8±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 145.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.97
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 396.8±7.0 cm3

Click to predict properties on the Chemicalize site


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