ChemSpider 2D Image | 1-[2-(2,2-Difluoroethoxy)benzyl]-3-[3-(2-methyl-4-pyridinyl)octahydro-1H-pyrazolo[4,3-c]pyridin-6-yl]urea | C22H28F2N6O2

1-[2-(2,2-Difluoroethoxy)benzyl]-3-[3-(2-methyl-4-pyridinyl)octahydro-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

  • Molecular FormulaC22H28F2N6O2
  • Average mass446.493 Da
  • Monoisotopic mass446.224182 Da
  • ChemSpider ID129147878

More details:

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

1-[2-(2,2-Difluorethoxy)benzyl]-3-[3-(2-methyl-4-pyridinyl)octahydro-1H-pyrazolo[4,3-c]pyridin-6-yl]harnstoff [German] [ACD/IUPAC Name]
1-[2-(2,2-Difluoroethoxy)benzyl]-3-[3-(2-methyl-4-pyridinyl)octahydro-1H-pyrazolo[4,3-c]pyridin-6-yl]urea [ACD/IUPAC Name]
1-[2-(2,2-Difluoroéthoxy)benzyl]-3-[3-(2-méthyl-4-pyridinyl)octahydro-1H-pyrazolo[4,3-c]pyridin-6-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[[2-(2,2-difluoroethoxy)phenyl]methyl]-N'-[octahydro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.0±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.08
Polar Surface Area: 99 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 337.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement