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Search term: CLHWAAAYYHMVJX-ZJSXRUAMSA-O (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(6-Benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-{(2R,5R)-5-methyl-2-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-piperazinyl}ethanone | C28H36N6O

1-(6-Benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-{(2R,5R)-5-methyl-2-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-piperazinyl}ethanone

  • Molecular FormulaC28H36N6O
  • Average mass472.625 Da
  • Monoisotopic mass472.295074 Da
  • ChemSpider ID59053206

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(6-Benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-{(2R,5R)-5-methyl-2-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-(6-Benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-{(2R,5R)-5-methyl-2-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
1-(6-Benzyl-3,3-diméthyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-{(2R,5R)-5-méthyl-2-[(4-méthyl-1H-pyrazol-1-yl)méthyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,3-dihydro-3,3-dimethyl-6-(phenylmethyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.6±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 140.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 10.24
ACD/KOC (pH 7.4): 76.72
Polar Surface Area: 66 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 385.9±7.0 cm3

Click to predict properties on the Chemicalize site


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