ChemSpider 2D Image | (1,5-Diphenyl-1H-1,2,4-triazol-3-yl)(5-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)methanone | C27H23N7O

(1,5-Diphenyl-1H-1,2,4-triazol-3-yl)(5-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)methanone

  • Molecular FormulaC27H23N7O
  • Average mass461.518 Da
  • Monoisotopic mass461.196411 Da
  • ChemSpider ID21868206

More details:






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

(1,5-Diphenyl-1H-1,2,4-triazol-3-yl)(5-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[2,3-b]chinoxalin-1-yl)methanon [German] [ACD/IUPAC Name]
(1,5-Diphenyl-1H-1,2,4-triazol-3-yl)(5-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)methanone [ACD/IUPAC Name]
(1,5-Diphényl-1H-1,2,4-triazol-3-yl)(5-méthyl-2,3,4,5-tétrahydro-1H-[1,4]diazépino[2,3-b]quinoxalin-1-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, (1,5-diphenyl-1H-1,2,4-triazol-3-yl)(2,3,4,5-tetrahydro-5-methyl-1H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 698.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.3±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 709.67
ACD/KOC (pH 5.5): 3822.33
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 710.02
ACD/KOC (pH 7.4): 3824.18
Polar Surface Area: 80 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 343.3±7.0 cm3

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