ChemSpider 2D Image | Nalpha-[(2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]-4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenylalaninamide | C31H27FN4O4S

Nα-[(2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]-4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenylalaninamide

  • Molecular FormulaC31H27FN4O4S
  • Average mass570.634 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID121075377

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[(4-fluorophenyl)methyl]-2-[[2-(2-methyl-4-thiazolyl)ethyl]amino]-2-oxoethyl]-2,3-dihydro-1,3-dioxo-2-(phenylmethyl)- [ACD/Index Name]
Nα-[(2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]-4-fluor-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]-4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenylalaninamide [ACD/IUPAC Name]
Nα-[(2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]-4-fluoro-N-[2-(2-méthyl-1,3-thiazol-4-yl)éthyl]phénylalaninamide [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: 834.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 458.7±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 527.09
ACD/KOC (pH 5.5): 3086.87
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 528.80
ACD/KOC (pH 7.4): 3096.91
Polar Surface Area: 137 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 418.2±3.0 cm3

Click to predict properties on the Chemicalize site


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