ChemSpider 2D Image | 11-(4-Fluorophenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C26H29FN2O2

11-(4-Fluorophenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC26H29FN2O2
  • Average mass420.519 Da
  • Monoisotopic mass420.221313 Da
  • ChemSpider ID21861922

More details:

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

11-(4-Fluorophenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
11-(4-Fluorophényl)-3,3-diméthyl-10-(3-méthylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
11-(4-Fluorphenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepin-1-one, 11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-3,3-dimethyl-10-(3-methyl-1-oxobutyl)- [ACD/Index Name]
11-(4-Fluoro-phenyl)-3,3-dimethyl-10-(3-methyl-butyryl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3932.08
ACD/KOC (pH 5.5): 13019.92
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3932.58
ACD/KOC (pH 7.4): 13021.59
Polar Surface Area: 49 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 347.1±5.0 cm3

Click to predict properties on the Chemicalize site


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