ChemSpider 2D Image | (5R)-6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methyl-1-(~2~H_8_)piperazinecarboxylate | C17H9D8ClN6O3

(5R)-6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methyl-1-(2H8)piperazinecarboxylate

  • Molecular FormulaC17H9D8ClN6O3
  • Average mass396.858 Da
  • Monoisotopic mass396.155273 Da
  • ChemSpider ID107442511

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5R)-6-(5-Chlor-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl-4-methyl-1-(2H8)piperazincarboxylat [German] [ACD/IUPAC Name]
(5R)-6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methyl-1-(2H8)piperazinecarboxylate [ACD/IUPAC Name]
1-Piperazine-2,2,3,3,5,5,6,6-d8-carboxylic acid, 4-methyl-, (5R)-6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl ester [ACD/Index Name]
4-Méthyl-1-(2H8)pipérazinecarboxylate de (5R)-6-(5-chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.0±30.1 °C
Index of Refraction: 1.688
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.13
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 44.02
Polar Surface Area: 92 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 86.1±5.0 dyne/cm
Molar Volume: 252.3±5.0 cm3

Click to predict properties on the Chemicalize site


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