ChemSpider 2D Image | 6-(4-Fluorobenzyl)-4-(4-fluorophenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione | C20H17F2N3O2

6-(4-Fluorobenzyl)-4-(4-fluorophenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

  • Molecular FormulaC20H17F2N3O2
  • Average mass369.365 Da
  • Monoisotopic mass369.128876 Da
  • ChemSpider ID21573474

More details:

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

1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 4-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydro-1-methyl- [ACD/Index Name]
6-(4-Fluorbenzyl)-4-(4-fluorphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-2,5-dion [German] [ACD/IUPAC Name]
6-(4-Fluorobenzyl)-4-(4-fluorophenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [ACD/IUPAC Name]
6-(4-Fluorobenzyl)-4-(4-fluorophényl)-1-méthyl-3,4,6,7-tétrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [French] [ACD/IUPAC Name]
4-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-(4-Fluoro-benzyl)-4-(4-fluoro-phenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
853104-67-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.76
ACD/KOC (pH 5.5): 325.90
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.76
ACD/KOC (pH 7.4): 325.83
Polar Surface Area: 53 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 260.5±5.0 cm3

Click to predict properties on the Chemicalize site


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