ChemSpider 2D Image | 2-{5-[(1-{[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butyl]amino}-1-oxo-3-phenyl-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid | C36H39N3O8

2-{5-[(1-{[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butyl]amino}-1-oxo-3-phenyl-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid

  • Molecular FormulaC36H39N3O8
  • Average mass641.710 Da
  • Monoisotopic mass641.273743 Da
  • ChemSpider ID121010924

More details:

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

2-{5-[(1-{[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butyl]amino}-1-oxo-3-phenyl-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid [ACD/IUPAC Name]
2-{5-[(1-{[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butyl]amino}-1-oxo-3-phenyl-2-propanyl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentansäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-1,3-dihydro-α-(2-methylpropyl)-1,3-dioxo- [ACD/Index Name]
Acide 2-{5-[(1-{[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]amino}-1-oxo-3-phényl-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: 1.3±0.1 g/cm3
Boiling Point: 895.2±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: 1.610
Molar Refractivity: 171.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 16.35
ACD/KOC (pH 5.5): 70.28
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 151 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 495.2±3.0 cm3

Click to predict properties on the Chemicalize site


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