ChemSpider 2D Image | N-Cyclohexyl-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-methylbutanamide | C26H33F3N4O3

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

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID29231772

More details:

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

6H-Pyrrolo[3,4-d]pyrimidine-6-acetamide, N-cyclohexyl-1-ethyl-1,2,3,4,5,7-hexahydro-α-(1-methylethyl)-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-Cyclohexyl-2-{1-ethyl-2,5-dioxo-4-[4-(trifluormethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-methylbutanamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-methylbutanamide [ACD/IUPAC Name]
N-Cyclohexyl-2-{1-éthyl-2,5-dioxo-4-[4-(trifluorométhyl)phényl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-méthylbutanamide [French] [ACD/IUPAC 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: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.70
ACD/KOC (pH 5.5): 2082.26
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 303.62
ACD/KOC (pH 7.4): 2081.75
Polar Surface Area: 82 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 388.4±5.0 cm3

Click to predict properties on the Chemicalize site


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