ChemSpider 2D Image | (4R)-8-Ethynyl-6-(2-fluorophenyl)-N,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide | C22H17FN4O

(4R)-8-Ethynyl-6-(2-fluorophenyl)-N,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

  • Molecular FormulaC22H17FN4O
  • Average mass372.395 Da
  • Monoisotopic mass372.138641 Da
  • ChemSpider ID90663599

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-8-Ethinyl-6-(2-fluorphenyl)-N,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxamid [German] [ACD/IUPAC Name]
(4R)-8-Ethynyl-6-(2-fluorophenyl)-N,4-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide [ACD/IUPAC Name]
(4R)-8-Éthynyl-6-(2-fluorophényl)-N,4-diméthyl-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxamide [French] [ACD/IUPAC Name]
4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide, 8-ethynyl-6-(2-fluorophenyl)-N,4-dimethyl-, (4R)- [ACD/Index 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: 584.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.4±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.08
ACD/KOC (pH 5.5): 318.86
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.11
ACD/KOC (pH 7.4): 319.17
Polar Surface Area: 59 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 295.0±7.0 cm3

Click to predict properties on the Chemicalize site


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