ChemSpider 2D Image | N-[(2S)-2-Acetamidopropanoyl]-1-{(3S)-5,5-difluoro-2-methyl-4,6-dioxo-6-[(2-phenylethyl)amino]-3-hexanyl}-L-prolinamide | C25H34F2N4O5

N-[(2S)-2-Acetamidopropanoyl]-1-{(3S)-5,5-difluoro-2-methyl-4,6-dioxo-6-[(2-phenylethyl)amino]-3-hexanyl}-L-prolinamide

  • Molecular FormulaC25H34F2N4O5
  • Average mass508.558 Da
  • Monoisotopic mass508.249725 Da
  • ChemSpider ID169383

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Pyrrolidinebutanamide, 2-[[[(2S)-2-(acetylamino)-1-oxopropyl]amino]carbonyl]-α,α-difluoro-γ-(1-methylethyl)-β-oxo-N-(2-phenylethyl)-, (γS,2S)- [ACD/Index Name]
N-[(2S)-2-Acetamidopropanoyl]-1-{(3S)-5,5-difluor-2-methyl-4,6-dioxo-6-[(2-phenylethyl)amino]-3-hexanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Acetamidopropanoyl]-1-{(3S)-5,5-difluoro-2-methyl-4,6-dioxo-6-[(2-phenylethyl)amino]-3-hexanyl}-L-prolinamide [ACD/IUPAC Name]
N-[(2S)-2-Acétamidopropanoyl]-1-{(3S)-5,5-difluoro-2-méthyl-4,6-dioxo-6-[(2-phényléthyl)amino]-3-hexanyl}-L-prolinamide [French] [ACD/IUPAC Name]
119720-81-9 [RN]
DFKi
L708286

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

L 708286 [DBID]
L-708286 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 723.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.5±32.9 °C
Index of Refraction: 1.523
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 15.16
ACD/KOC (pH 5.5): 229.29
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.67
ACD/KOC (pH 7.4): 282.32
Polar Surface Area: 125 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 415.5±3.0 cm3

Click to predict properties on the Chemicalize site


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