ChemSpider 2D Image | N-[(5-Methoxy-1,2-benzoxazol-3-yl)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide | C25H31F3N4O6

N-[(5-Methoxy-1,2-benzoxazol-3-yl)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide

  • Molecular FormulaC25H31F3N4O6
  • Average mass540.532 Da
  • Monoisotopic mass540.219543 Da
  • ChemSpider ID8328338

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[(5-methoxy-1,2-benzisoxazol-3-yl)carbonyl]-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]- [ACD/Index Name]
N-[(5-Methoxy-1,2-benzoxazol-3-yl)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluor-4-methyl-2-oxo-3-pentanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[(5-Methoxy-1,2-benzoxazol-3-yl)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide [ACD/IUPAC Name]
N-[(5-Méthoxy-1,2-benzoxazol-3-yl)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-méthyl-2-oxo-3-pentanyl]-L-prolinamide [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: 754.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.3±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.13
ACD/KOC (pH 5.5): 435.51
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.11
ACD/KOC (pH 7.4): 435.31
Polar Surface Area: 131 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 417.0±3.0 cm3

Click to predict properties on the Chemicalize site


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