ChemSpider 2D Image | N-[2-Methyl-4-(2-methyl-2-propen-1-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-3,5-bis(trifluoromethyl)benzamide | C22H18F6N2O3

N-[2-Methyl-4-(2-methyl-2-propen-1-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-3,5-bis(trifluoromethyl)benzamide

  • Molecular FormulaC22H18F6N2O3
  • Average mass472.380 Da
  • Monoisotopic mass472.122162 Da
  • ChemSpider ID30858818

More details:

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

Benzamide, N-[3,4-dihydro-2-methyl-4-(2-methyl-2-propen-1-yl)-3-oxo-2H-1,4-benzoxazin-7-yl]-3,5-bis(trifluoromethyl)- [ACD/Index Name]
N-[2-Methyl-4-(2-methyl-2-propen-1-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-3,5-bis(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[2-Methyl-4-(2-methyl-2-propen-1-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-3,5-bis(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[2-Méthyl-4-(2-méthyl-2-propén-1-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-3,5-bis(trifluorométhyl)benzamide [French] [ACD/IUPAC 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: 491.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.7±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11093.52
ACD/KOC (pH 5.5): 27353.85
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11096.10
ACD/KOC (pH 7.4): 27360.21
Polar Surface Area: 59 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

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