ChemSpider 2D Image | 2-{1-Allyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[2-(2-pyridinyl)ethyl]pentanamide | C29H32F3N5O3

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

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID22615364

More details:

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

2-{1-Allyl-2,5-dioxo-4-[2-(trifluormethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[2-(2-pyridinyl)ethyl]pentanamid [German] [ACD/IUPAC Name]
2-{1-Allyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[2-(2-pyridinyl)ethyl]pentanamide [ACD/IUPAC Name]
2-{1-Allyl-2,5-dioxo-4-[2-(trifluorométhyl)phényl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-méthyl-N-[2-(2-pyridinyl)éthyl]pentanamide [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-acetamide, 1,2,3,4,5,7-hexahydro-α-(2-methylpropyl)-2,5-dioxo-1-(2-propen-1-yl)-N-[2-(2-pyridinyl)ethyl]-4-[2-(trifluoromethyl)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: 784.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.1±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 108.61
ACD/KOC (pH 5.5): 916.45
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.62
ACD/KOC (pH 7.4): 1228.78
Polar Surface Area: 95 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 420.9±5.0 cm3

Click to predict properties on the Chemicalize site


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