ChemSpider 2D Image | (1,1-~2~H_2_)Ethyl 8-ethynyl-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | C21H14D2N4O2

(1,1-2H2)Ethyl 8-ethynyl-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

  • Molecular FormulaC21H14D2N4O2
  • Average mass358.390 Da
  • Monoisotopic mass358.139893 Da
  • ChemSpider ID76745216

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,1-2H2)Ethyl 8-ethynyl-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate [ACD/IUPAC Name]
(1,1-2H2)Ethyl-8-ethinyl-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylat [German] [ACD/IUPAC Name]
4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-ethynyl-6-(2-pyridinyl)-, ethyl-1,1-d2 ester [ACD/Index Name]
8-Éthynyl-6-(2-pyridinyl)-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxylate de (1,1-2H2)éthyle [French] [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: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.9±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 104.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.22
ACD/KOC (pH 5.5): 515.57
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.26
ACD/KOC (pH 7.4): 516.05
Polar Surface Area: 69 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 283.4±7.0 cm3

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