ChemSpider 2D Image | 1-(8-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]urea | C15H17ClN6O3

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

  • Molecular FormulaC15H17ClN6O3
  • Average mass364.787 Da
  • Monoisotopic mass364.105072 Da
  • ChemSpider ID52608220

More details:

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

1-(8-Chlor-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-(8-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]urea [ACD/IUPAC Name]
1-(8-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-[2-(4-éthyl-4H-1,2,4-triazol-3-yl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-(8-chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-N'-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]- [ACD/Index Name]
N-(8-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N'-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]urea

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.99
ACD/KOC (pH 5.5): 139.75
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.02
ACD/KOC (pH 7.4): 140.40
Polar Surface Area: 110 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 232.4±7.0 cm3

Click to predict properties on the Chemicalize site


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