ChemSpider 2D Image | [5-{[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl}hexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl][5-(1H-pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone | C19H21F2N7O2

[5-{[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl}hexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl][5-(1H-pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone

  • Molecular FormulaC19H21F2N7O2
  • Average mass417.413 Da
  • Monoisotopic mass417.172485 Da
  • ChemSpider ID104301044

More details:

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

[5-{[1-(Difluormethyl)-1H-imidazol-2-yl]methyl}hexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl][5-(1H-pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanon [German] [ACD/IUPAC Name]
[5-{[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl}hexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl][5-(1H-pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone [ACD/IUPAC Name]
[5-{[1-(Difluorométhyl)-1H-imidazol-2-yl]méthyl}hexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl][5-(1H-pyrazol-1-ylméthyl)-1,2-oxazol-3-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[[1-(difluoromethyl)-1H-imidazol-2-yl]methyl]hexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl][5-(1H-pyrazol-1-ylmethyl)-3-isoxazolyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 651.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 104.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 85 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 262.6±7.0 cm3

Click to predict properties on the Chemicalize site


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