ChemSpider 2D Image | 5-[(2S)-2-Hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile | C26H27N5O2

5-[(2S)-2-Hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile

  • Molecular FormulaC26H27N5O2
  • Average mass441.525 Da
  • Monoisotopic mass441.216461 Da
  • ChemSpider ID62396032

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-[(2S)-2-Hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-4-carbonitril [German] [ACD/IUPAC Name]
5-[(2S)-2-Hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile [ACD/IUPAC Name]
5-[(2S)-2-Hydroxy-3-(4-phényl-1-pipérazinyl)propyl]-3-méthyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile [French] [ACD/IUPAC Name]
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1,5-dihydro-5-[(2S)-2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3-methyl-1-oxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.3±31.5 °C
Index of Refraction: 1.716
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 4.89
ACD/KOC (pH 5.5): 47.17
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 74.52
ACD/KOC (pH 7.4): 718.36
Polar Surface Area: 74 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 321.4±5.0 cm3

Click to predict properties on the Chemicalize site


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