ChemSpider 2D Image | {5-[6-(Dimethylamino)-2-(trifluoromethyl)-4-pyrimidinyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}[2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | C22H23F3N8O

{5-[6-(Dimethylamino)-2-(trifluoromethyl)-4-pyrimidinyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}[2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

  • Molecular FormulaC22H23F3N8O
  • Average mass472.466 Da
  • Monoisotopic mass472.194702 Da
  • ChemSpider ID58900506

More details:

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

{5-[6-(Dimethylamino)-2-(trifluormethyl)-4-pyrimidinyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}[2-(2H-1,2,3-triazol-2-yl)phenyl]methanon [German] [ACD/IUPAC Name]
{5-[6-(Dimethylamino)-2-(trifluoromethyl)-4-pyrimidinyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}[2-(2H-1,2,3-triazol-2-yl)phenyl]methanone [ACD/IUPAC Name]
{5-[6-(Diméthylamino)-2-(trifluorométhyl)-4-pyrimidinyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}[2-(2H-1,2,3-triazol-2-yl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[6-(dimethylamino)-2-(trifluoromethyl)-4-pyrimidinyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][2-(2H-1,2,3-triazol-2-yl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 637.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.5±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 12.75
ACD/KOC (pH 5.5): 203.39
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.52
ACD/KOC (pH 7.4): 247.60
Polar Surface Area: 83 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 315.4±7.0 cm3

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