ChemSpider 2D Image | N-[(1S)-2-Amino-1-phenylethyl]-2-[(4S)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide | C22H22FN5O2

N-[(1S)-2-Amino-1-phenylethyl]-2-[(4S)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide

  • Molecular FormulaC22H22FN5O2
  • Average mass407.441 Da
  • Monoisotopic mass407.175751 Da
  • ChemSpider ID34245510

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(1S)-2-Amino-1-phenylethyl]-2-[(4S)-7-(2-fluor-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamid [German] [ACD/IUPAC Name]
N-[(1S)-2-Amino-1-phenylethyl]-2-[(4S)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide [ACD/IUPAC Name]
N-[(1S)-2-Amino-1-phényléthyl]-2-[(4S)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tétrahydropyrrolo[1,2-a]pyrazin-4-yl]acétamide [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-4-acetamide, N-[(1S)-2-amino-1-phenylethyl]-7-(2-fluoro-4-pyridinyl)-1,2,3,4-tetrahydro-1-oxo-, (4S)- [ACD/Index 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: 787.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 430.0±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 27.73
Polar Surface Area: 102 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 291.6±7.0 cm3

Click to predict properties on the Chemicalize site


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