ChemSpider 2D Image | (2S)-2-{[1-(2-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide | C21H18Cl2N6O4

(2S)-2-{[1-(2-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide

  • Molecular FormulaC21H18Cl2N6O4
  • Average mass489.311 Da
  • Monoisotopic mass488.076660 Da
  • ChemSpider ID34226953

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[1-(2-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide [ACD/IUPAC Name]
(2S)-2-{[1-(2-Chlorophényl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloro-2-pyridinyl)-3-(2-hydroxyéthoxy)propanamide [French] [ACD/IUPAC Name]
(2s)-2-{[1-(2-Chlorophenyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Yl]oxy}-N-(5-Chloropyridin-2-Yl)-3-(2-Hydroxyethoxy)propanamide
(2S)-2-{[1-(2-Chlorphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chlor-2-pyridinyl)-3-(2-hydroxyethoxy)propanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-chloro-2-pyridinyl)-3-(2-hydroxyethoxy)-, (2S)- [ACD/Index Name]
1J9

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.1±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.18
ACD/KOC (pH 5.5): 816.91
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.97
ACD/KOC (pH 7.4): 814.79
Polar Surface Area: 124 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 316.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement