ChemSpider 2D Image | N-(2-Furylmethyl)-2-{1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide | C28H25F3N4O4

N-(2-Furylmethyl)-2-{1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID22614365

More details:

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

6H-Pyrrolo[3,4-d]pyrimidine-6-acetamide, N-(2-furanylmethyl)-1,2,3,4,5,7-hexahydro-1-methyl-2,5-dioxo-α-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-(2-Furylmethyl)-2-{1-methyl-2,5-dioxo-4-[4-(trifluormethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamid [German] [ACD/IUPAC Name]
N-(2-Furylmethyl)-2-{1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide [ACD/IUPAC Name]
N-(2-Furylméthyl)-2-{1-méthyl-2,5-dioxo-4-[4-(trifluorométhyl)phényl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phénylpropanamide [French] [ACD/IUPAC 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: 826.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.3±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.40
ACD/KOC (pH 5.5): 1584.78
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.31
ACD/KOC (pH 7.4): 1584.17
Polar Surface Area: 95 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 376.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement