Found 3 results

Search term: XOZJVPQFZSCGTE-WIYYLYMNSA-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-[(2S,5S)-2-(methoxymethyl)-5-methyl-1-piperazinyl]ethanone | C25H34N4O2

1-(6-Benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-[(2S,5S)-2-(methoxymethyl)-5-methyl-1-piperazinyl]ethanone

  • Molecular FormulaC25H34N4O2
  • Average mass422.563 Da
  • Monoisotopic mass422.268188 Da
  • ChemSpider ID98660234

  • 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-[(2S,5S)-2-(methoxymethyl)-5-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-[(2S,5S)-2-(methoxymethyl)-5-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-[(2S,5S)-2-(méthoxyméthyl)-5-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-[(2S,5S)-2-(methoxymethyl)-5-methyl-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 4.75
ACD/KOC (pH 7.4): 43.20
Polar Surface Area: 58 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 385.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement