ChemSpider 2D Image | 1-(6-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3-[(3,3-difluorocycloheptyl)methyl]urea | C17H20ClF2N3O3

1-(6-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3-[(3,3-difluorocycloheptyl)methyl]urea

  • Molecular FormulaC17H20ClF2N3O3
  • Average mass387.809 Da
  • Monoisotopic mass387.116119 Da
  • ChemSpider ID64369132

More details:

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

1-(6-Chlor-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3-[(3,3-difluorcycloheptyl)methyl]harnstoff [German] [ACD/IUPAC Name]
1-(6-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3-[(3,3-difluorocycloheptyl)methyl]urea [ACD/IUPAC Name]
1-(6-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3-[(3,3-difluorocycloheptyl)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N-(6-chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-8-yl)-N'-[(3,3-difluorocycloheptyl)methyl]- [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: 518.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.6±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.68
ACD/KOC (pH 5.5): 2740.14
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 445.64
ACD/KOC (pH 7.4): 2739.86
Polar Surface Area: 79 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 276.7±5.0 cm3

Click to predict properties on the Chemicalize site


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