ChemSpider 2D Image | Ethyl 8-fluoro-6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | C20H15FN4O4

Ethyl 8-fluoro-6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

  • Molecular FormulaC20H15FN4O4
  • Average mass394.356 Da
  • Monoisotopic mass394.107727 Da
  • ChemSpider ID24714725

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-fluoro-6-(4-nitrophenyl)-, ethyl ester [ACD/Index Name]
8-Fluoro-6-(4-nitrophényl)-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8-fluoro-6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate [ACD/IUPAC Name]
Ethyl-8-fluor-6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512265/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.9±30.1 °C
Index of Refraction: 1.676
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.34
ACD/KOC (pH 5.5): 715.92
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.35
ACD/KOC (pH 7.4): 716.03
Polar Surface Area: 102 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 271.7±7.0 cm3

Click to predict properties on the Chemicalize site


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