ChemSpider 2D Image | [(2E)-2-(5-{5-[(Ethylamino)methyl]-4-methyl-3-pyridinyl}-1,2-dihydro-3H-indazol-3-ylidene)-2H-imidazol-4-yl](4-phenyl-1-piperazinyl)methanone | C30H32N8O

[(2E)-2-(5-{5-[(Ethylamino)methyl]-4-methyl-3-pyridinyl}-1,2-dihydro-3H-indazol-3-ylidene)-2H-imidazol-4-yl](4-phenyl-1-piperazinyl)methanone

  • Molecular FormulaC30H32N8O
  • Average mass520.628 Da
  • Monoisotopic mass520.269897 Da
  • ChemSpider ID9366697

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2E)-2-(5-{5-[(Ethylamino)methyl]-4-methyl-3-pyridinyl}-1,2-dihydro-3H-indazol-3-yliden)-2H-imidazol-4-yl](4-phenyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
[(2E)-2-(5-{5-[(Ethylamino)methyl]-4-methyl-3-pyridinyl}-1,2-dihydro-3H-indazol-3-ylidene)-2H-imidazol-4-yl](4-phenyl-1-piperazinyl)methanone [ACD/IUPAC Name]
[(2E)-2-(5-{5-[(Éthylamino)méthyl]-4-méthyl-3-pyridinyl}-1,2-dihydro-3H-indazol-3-ylidène)-2H-imidazol-4-yl](4-phényl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(2E)-2-[5-[5-[(ethylamino)methyl]-4-methyl-3-pyridinyl]-1,2-dihydro-3H-indazol-3-ylidene]-2H-imidazol-4-yl](4-phenyl-1-piperazinyl)- [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: 628.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 333.9±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 152.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.12
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.92
Polar Surface Area: 97 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 389.1±7.0 cm3

Click to predict properties on the Chemicalize site


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