ChemSpider 2D Image | 1-(4-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-{(2R)-2-methyl-4-[(~2~H_5_)phenylcarbonyl]-1-piperazinyl}-1,2-ethanedione | C22H17D5N4O4

1-(4-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-{(2R)-2-methyl-4-[(2H5)phenylcarbonyl]-1-piperazinyl}-1,2-ethanedione

  • Molecular FormulaC22H17D5N4O4
  • Average mass411.465 Da
  • Monoisotopic mass411.195496 Da
  • ChemSpider ID107446493

  • 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-(4-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-{(2R)-2-methyl-4-[(2H5)phenylcarbonyl]-1-piperazinyl}-1,2-ethandion [German] [ACD/IUPAC Name]
1-(4-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-{(2R)-2-methyl-4-[(2H5)phenylcarbonyl]-1-piperazinyl}-1,2-ethanedione [ACD/IUPAC Name]
1-(4-Méthoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-{(2R)-2-méthyl-4-[(2H5)phénylcarbonyl]-1-pipérazinyl}-1,2-éthanedione [French] [ACD/IUPAC Name]
1,2-Ethanedione, 1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2R)-2-methyl-4-(phenyl-d5-carbonyl)-1-piperazinyl]- [ACD/Index 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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