ChemSpider 2D Image | N-(2,3-Difluorobenzyl)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanamine | C22H23F3N4

N-(2,3-Difluorobenzyl)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanamine

  • Molecular FormulaC22H23F3N4
  • Average mass400.440 Da
  • Monoisotopic mass400.187469 Da
  • ChemSpider ID22182742

More details:

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

1H-Azepin-4-amine, N-[(2,3-difluorophenyl)methyl]-1-(6-fluoro-4-methyl-2-quinazolinyl)hexahydro- [ACD/Index Name]
N-(2,3-Difluorbenzyl)-1-(6-fluor-4-methyl-2-chinazolinyl)-4-azepanamin [German] [ACD/IUPAC Name]
N-(2,3-Difluorobenzyl)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanamine [ACD/IUPAC Name]
N-(2,3-Difluorobenzyl)-1-(6-fluoro-4-méthyl-2-quinazolinyl)-4-azépanamine [French] [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: 546.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 152.44
ACD/KOC (pH 7.4): 631.61
Polar Surface Area: 41 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 308.9±5.0 cm3

Click to predict properties on the Chemicalize site


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