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

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

  • Molecular FormulaC18H19F2N5O4
  • Average mass407.371 Da
  • Monoisotopic mass407.140503 Da
  • ChemSpider ID76796817

  • 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-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]harnstoff [German] [ACD/IUPAC Name]
1-[(1S)-2-(Difluoromethoxy)-1-phenylethyl]-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea [ACD/IUPAC Name]
1-[(1S)-2-(Difluorométhoxy)-1-phényléthyl]-3-[4-(hydroxyméthyl)-3-méthoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[(1S)-2-(difluoromethoxy)-1-phenylethyl]-N'-[4-(hydroxymethyl)-3-methoxy-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: 610.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 322.8±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.42
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 5.68
ACD/KOC (pH 7.4): 107.32
Polar Surface Area: 121 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 280.1±3.0 cm3

Click to predict properties on the Chemicalize site


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