ChemSpider 2D Image | 5-{[2-(Adamantan-1-yl)ethyl](methyl)amino}-1-(2,4-difluorobenzyl)-2-azepanone | C26H36F2N2O

5-{[2-(Adamantan-1-yl)ethyl](methyl)amino}-1-(2,4-difluorobenzyl)-2-azepanone

  • Molecular FormulaC26H36F2N2O
  • Average mass430.574 Da
  • Monoisotopic mass430.279572 Da
  • ChemSpider ID22150468

More details:

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

2H-Azepin-2-one, 1-[(2,4-difluorophenyl)methyl]hexahydro-5-[methyl(2-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]- [ACD/Index Name]
5-{[2-(Adamantan-1-yl)ethyl](methyl)amino}-1-(2,4-difluorbenzyl)-2-azepanon [German] [ACD/IUPAC Name]
5-{[2-(Adamantan-1-yl)ethyl](methyl)amino}-1-(2,4-difluorobenzyl)-2-azepanone [ACD/IUPAC Name]
5-{[2-(Adamantan-1-yl)éthyl](méthyl)amino}-1-(2,4-difluorobenzyl)-2-azépanone [French] [ACD/IUPAC Name]
5-[[2-(1-adamantyl)ethyl](methyl)amino]-1-(2,4-difluorobenzyl)-2-azepanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 11.59
ACD/KOC (pH 5.5): 30.88
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 377.48
ACD/KOC (pH 7.4): 1005.79
Polar Surface Area: 24 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 362.8±5.0 cm3

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