ChemSpider 2D Image | N-[3,3-Dimethyl-5-(3-methylbutyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]-3,5-bis(trifluoromethyl)benzamide | C25H26F6N2O3

N-[3,3-Dimethyl-5-(3-methylbutyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]-3,5-bis(trifluoromethyl)benzamide

  • Molecular FormulaC25H26F6N2O3
  • Average mass516.476 Da
  • Monoisotopic mass516.184753 Da
  • ChemSpider ID58416262

More details:

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

Benzamide, N-[2,3,4,5-tetrahydro-3,3-dimethyl-5-(3-methylbutyl)-4-oxo-1,5-benzoxazepin-8-yl]-3,5-bis(trifluoromethyl)- [ACD/Index Name]
N-[3,3-Dimethyl-5-(3-methylbutyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]-3,5-bis(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[3,3-Dimethyl-5-(3-methylbutyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]-3,5-bis(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[3,3-Diméthyl-5-(3-méthylbutyl)-4-oxo-2,3,4,5-tétrahydro-1,5-benzoxazépin-8-yl]-3,5-bis(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-(5-isopentyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-8-yl)-3,5-bis(trifluoromethyl)benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 265.0±30.1 °C
Index of Refraction: 1.509
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40266.05
ACD/KOC (pH 5.5): 68823.02
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40286.25
ACD/KOC (pH 7.4): 68857.56
Polar Surface Area: 59 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 404.4±3.0 cm3

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