ChemSpider 2D Image | 1-(2-Chloro-4-{[6-(2-hydroxy-2-propanyl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phenyl)-3-[3-(trifluoromethyl)phenyl]urea | C24H21ClF3N5O3

1-(2-Chloro-4-{[6-(2-hydroxy-2-propanyl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phenyl)-3-[3-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC24H21ClF3N5O3
  • Average mass519.903 Da
  • Monoisotopic mass519.128479 Da
  • ChemSpider ID26349485

More details:

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

1-(2-Chlor-4-{[6-(2-hydroxy-2-propanyl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phenyl)-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-(2-Chloro-4-{[6-(2-hydroxy-2-propanyl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phenyl)-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-(2-Chloro-4-{[6-(2-hydroxy-2-propanyl)-5-méthyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phényl)-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
919280-06-1 [RN]
Urea, N-[2-chloro-4-[[6-(1-hydroxy-1-methylethyl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 566.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.3±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 126.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1128.12
ACD/KOC (pH 5.5): 4945.97
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1458.32
ACD/KOC (pH 7.4): 6393.69
Polar Surface Area: 101 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 361.2±7.0 cm3

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