ChemSpider 2D Image | Methyl 11-(4-fluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate | C22H21FN2O3

Methyl 11-(4-fluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

  • Molecular FormulaC22H21FN2O3
  • Average mass380.412 Da
  • Monoisotopic mass380.153625 Da
  • ChemSpider ID21227234

More details:

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

11-(4-Fluorophényl)-3-méthyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepine-2-carboxylic acid, 11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-3-methyl-1-oxo-, methyl ester [ACD/Index Name]
Methyl 11-(4-fluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate [ACD/IUPAC Name]
Methyl-11-(4-fluorphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-2-carboxylat [German] [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: 542.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.1±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 102.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 193.62
ACD/KOC (pH 5.5): 1470.08
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.87
ACD/KOC (pH 7.4): 1608.64
Polar Surface Area: 67 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 289.9±5.0 cm3

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