ChemSpider 2D Image | (3-Bromo-1-methyl-1H-indol-2-yl)[4-(2-fluorobenzyl)-1,4-diazepan-1-yl]methanone | C22H23BrFN3O

(3-Bromo-1-methyl-1H-indol-2-yl)[4-(2-fluorobenzyl)-1,4-diazepan-1-yl]methanone

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID78342582

More details:

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

(3-Brom-1-methyl-1H-indol-2-yl)[4-(2-fluorbenzyl)-1,4-diazepan-1-yl]methanon [German] [ACD/IUPAC Name]
(3-Bromo-1-methyl-1H-indol-2-yl)[4-(2-fluorobenzyl)-1,4-diazepan-1-yl]methanone [ACD/IUPAC Name]
(3-Bromo-1-méthyl-1H-indol-2-yl)[4-(2-fluorobenzyl)-1,4-diazépan-1-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, (3-bromo-1-methyl-1H-indol-2-yl)[4-[(2-fluorophenyl)methyl]hexahydro-1H-1,4-diazepin-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 578.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.6±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 42.48
ACD/KOC (pH 5.5): 276.72
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 331.81
ACD/KOC (pH 7.4): 2161.60
Polar Surface Area: 28 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 316.8±7.0 cm3

Click to predict properties on the Chemicalize site


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