ChemSpider 2D Image | 8-Ethynyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine | C21H14N6O

8-Ethynyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine

  • Molecular FormulaC21H14N6O
  • Average mass366.375 Da
  • Monoisotopic mass366.122894 Da
  • ChemSpider ID76765779

More details:

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

4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-ethynyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(2-pyridinyl)- [ACD/Index Name]
8-Ethinyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Ethynyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Éthynyl-3-(3-méthyl-1,2,4-oxadiazol-5-yl)-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazépine [French] [ACD/IUPAC 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: 623.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 330.9±34.3 °C
Index of Refraction: 1.732
Molar Refractivity: 106.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.75
ACD/KOC (pH 5.5): 304.93
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.76
ACD/KOC (pH 7.4): 305.17
Polar Surface Area: 82 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 267.0±7.0 cm3

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