ChemSpider 2D Image | N-[4-Cyano-1-(4,6,8-trimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-2,3-dimethyl-6-quinoxalinecarboxamide | C27H23N7O

N-[4-Cyano-1-(4,6,8-trimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-2,3-dimethyl-6-quinoxalinecarboxamide

  • Molecular FormulaC27H23N7O
  • Average mass461.518 Da
  • Monoisotopic mass461.196411 Da
  • ChemSpider ID34563244

More details:

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

6-Quinoxalinecarboxamide, N-[4-cyano-1-(4,6,8-trimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-2,3-dimethyl- [ACD/Index Name]
N-[4-Cyan-1-(4,6,8-trimethyl-2-chinolinyl)-1H-pyrazol-5-yl]-2,3-dimethyl-6-chinoxalincarboxamid [German] [ACD/IUPAC Name]
N-[4-Cyano-1-(4,6,8-triméthyl-2-quinoléinyl)-1H-pyrazol-5-yl]-2,3-diméthyl-6-quinoxalinecarboxamide [French] [ACD/IUPAC Name]
N-[4-Cyano-1-(4,6,8-trimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-2,3-dimethyl-6-quinoxalinecarboxamide [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: 646.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.705
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3764.43
ACD/KOC (pH 5.5): 12620.09
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3755.48
ACD/KOC (pH 7.4): 12590.08
Polar Surface Area: 109 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 348.2±7.0 cm3

Click to predict properties on the Chemicalize site


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