ChemSpider 2D Image | 1-[(2R)-4-Benzoyl-2-methyl-1-piperazinyl]-2-{4-[(~2~H_3_)methyloxy]-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2-ethanedione | C22H19D3N4O4

1-[(2R)-4-Benzoyl-2-methyl-1-piperazinyl]-2-{4-[(2H3)methyloxy]-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2-ethanedione

  • Molecular FormulaC22H19D3N4O4
  • Average mass409.453 Da
  • Monoisotopic mass409.182922 Da
  • ChemSpider ID107446494

  • 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

1,2-Ethanedione, 1-[(2R)-4-benzoyl-2-methyl-1-piperazinyl]-2-[4-(methyl-d3-oxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]- [ACD/Index Name]
1-[(2R)-4-Benzoyl-2-methyl-1-piperazinyl]-2-{4-[(2H3)methyloxy]-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2-ethandion [German] [ACD/IUPAC Name]
1-[(2R)-4-Benzoyl-2-methyl-1-piperazinyl]-2-{4-[(2H3)methyloxy]-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2-ethanedione [ACD/IUPAC Name]
1-[(2R)-4-Benzoyl-2-méthyl-1-pipérazinyl]-2-{4-[(2H3)méthyloxy]-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2-éthanedione [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 60.94
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 93.79
Polar Surface Area: 96 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 305.9±3.0 cm3

Click to predict properties on the Chemicalize site


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