ChemSpider 2D Image | 1-{1-[(3-Bromo-2-pyridinyl)oxy]-2-methyl-2-propanyl}-3-(hexahydro-1H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea | C16H25BrN6O2

1-{1-[(3-Bromo-2-pyridinyl)oxy]-2-methyl-2-propanyl}-3-(hexahydro-1H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea

  • Molecular FormulaC16H25BrN6O2
  • Average mass413.313 Da
  • Monoisotopic mass412.122223 Da
  • ChemSpider ID113488837

More details:

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

1-{1-[(3-Brom-2-pyridinyl)oxy]-2-methyl-2-propanyl}-3-(hexahydro-1H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)harnstoff [German] [ACD/IUPAC Name]
1-{1-[(3-Bromo-2-pyridinyl)oxy]-2-methyl-2-propanyl}-3-(hexahydro-1H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea [ACD/IUPAC Name]
1-{1-[(3-Bromo-2-pyridinyl)oxy]-2-méthyl-2-propanyl}-3-(hexahydro-1H-pyrrolo[2,1-c][1,2,4]triazol-3-ylméthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-[(3-bromo-2-pyridinyl)oxy]-1,1-dimethylethyl]-N'-[(hexahydro-1H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 569.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 99.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.52
Polar Surface Area: 91 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 280.1±5.0 cm3

Click to predict properties on the Chemicalize site


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