ChemSpider 2D Image | 3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile | C26H17FN4O3

3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

  • Molecular FormulaC26H17FN4O3
  • Average mass452.437 Da
  • Monoisotopic mass452.128479 Da
  • ChemSpider ID24740544

More details:

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

3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile [ACD/IUPAC Name]
3-(4-Fluorophényl)-2-(4-méthoxyphénoxy)-4-oxo-5-phényl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile [French] [ACD/IUPAC Name]
3-(4-Fluorphenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-carbonitril [German] [ACD/IUPAC Name]
3H-Pyrrolo[3,2-d]pyrimidine-7-carbonitrile, 3-(4-fluorophenyl)-4,5-dihydro-2-(4-methoxyphenoxy)-4-oxo-5-phenyl- [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: 665.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.1±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 643.42
ACD/KOC (pH 5.5): 3563.86
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 643.42
ACD/KOC (pH 7.4): 3563.87
Polar Surface Area: 80 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 343.5±7.0 cm3

Click to predict properties on the Chemicalize site


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