ChemSpider 2D Image | N-[(3E)-5-[(2R)-2-Methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5H)-ylidene]-4-(4-methyl-1-piperazinyl)benzamide | C26H26N6O3

N-[(3E)-5-[(2R)-2-Methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5H)-ylidene]-4-(4-methyl-1-piperazinyl)benzamide

  • Molecular FormulaC26H26N6O3
  • Average mass470.523 Da
  • Monoisotopic mass470.206635 Da
  • ChemSpider ID26325907

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(3E)-5-[(2R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5H)-ylidene]-4-(4-methyl-1-piperazinyl)- [ACD/Index Name]
N-[(3E)-5-[(2R)-2-Methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5H)-yliden]-4-(4-methyl-1-piperazinyl)benzamid [German] [ACD/IUPAC Name]
N-[(3E)-5-[(2R)-2-Methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5H)-ylidene]-4-(4-methyl-1-piperazinyl)benzamide [ACD/IUPAC Name]
N-[(3E)-5-[(2R)-2-Méthoxy-2-phénylacétyl]pyrrolo[3,4-c]pyrazol-3(5H)-ylidène]-4-(4-méthyl-1-pipérazinyl)benzamide [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: 672.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 133.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 21.55
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 112.12
ACD/KOC (pH 7.4): 832.45
Polar Surface Area: 92 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 353.9±7.0 cm3

Click to predict properties on the Chemicalize site


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