ChemSpider 2D Image | 1-[(1S)-2-(Difluoromethoxy)-1-phenylethyl]-3-[3-(2-hydroxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea | C18H19F2N5O4

1-[(1S)-2-(Difluoromethoxy)-1-phenylethyl]-3-[3-(2-hydroxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

  • Molecular FormulaC18H19F2N5O4
  • Average mass407.371 Da
  • Monoisotopic mass407.140503 Da
  • ChemSpider ID76798805

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(1S)-2-(Difluormethoxy)-1-phenylethyl]-3-[3-(2-hydroxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]harnstoff [German] [ACD/IUPAC Name]
1-[(1S)-2-(Difluoromethoxy)-1-phenylethyl]-3-[3-(2-hydroxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea [ACD/IUPAC Name]
1-[(1S)-2-(Difluorométhoxy)-1-phényléthyl]-3-[3-(2-hydroxyéthoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[(1S)-2-(difluoromethoxy)-1-phenylethyl]-N'-[3-(2-hydroxyethoxy)-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: 1.5±0.1 g/cm3
Boiling Point: 623.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.6±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.84
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 9.73
ACD/KOC (pH 7.4): 161.77
Polar Surface Area: 121 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 280.3±3.0 cm3

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