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Search term: DANIDPUWXPDMNG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 8-ethynyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | C22H16FN3O2

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

  • Molecular FormulaC22H16FN3O2
  • Average mass373.380 Da
  • Monoisotopic mass373.122650 Da
  • ChemSpider ID19871750

More details:

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

4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-ethynyl-6-(2-fluorophenyl)-, ethyl ester [ACD/Index Name]
8-Éthynyl-6-(2-fluorophényl)-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8-ethynyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate [ACD/IUPAC Name]
Ethyl-8-ethinyl-6-(2-fluorphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylat [German] [ACD/IUPAC Name]
612526-36-0 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514974/
JY-XHe-053

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 288.0±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.67
ACD/KOC (pH 5.5): 971.27
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.73
ACD/KOC (pH 7.4): 971.78
Polar Surface Area: 56 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 297.7±7.0 cm3

Click to predict properties on the Chemicalize site


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