ChemSpider 2D Image | Nalpha-{[2-(1-Carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(3-isopropyl-4-methoxyphenyl)-2-oxoethyl]phenylalaninamide | C36H39N3O8

Nα-{[2-(1-Carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(3-isopropyl-4-methoxyphenyl)-2-oxoethyl]phenylalaninamide

  • Molecular FormulaC36H39N3O8
  • Average mass641.710 Da
  • Monoisotopic mass641.273743 Da
  • ChemSpider ID121014808

More details:

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

2H-Isoindole-2-acetic acid, 1,3-dihydro-5-[[[2-[[2-[4-methoxy-3-(1-methylethyl)phenyl]-2-oxoethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-α-(2-methylpropyl)-1,3-dioxo- [ACD/Index Name]
Nα-{[2-(1-Carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(3-isopropyl-4-methoxyphenyl)-2-oxoethyl]phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{[2-(1-Carboxy-3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(3-isopropyl-4-methoxyphenyl)-2-oxoethyl]phenylalaninamide [ACD/IUPAC Name]
Nα-{[2-(1-Carboxy-3-méthylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-N-[2-(3-isopropyl-4-méthoxyphényl)-2-oxoéthyl]phénylalaninamide [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: 902.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.4±3.0 kJ/mol
Flash Point: 499.4±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 173.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 18.68
ACD/KOC (pH 5.5): 77.27
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.29
Polar Surface Area: 159 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 506.1±3.0 cm3

Click to predict properties on the Chemicalize site


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