ChemSpider 2D Image | 2-(4-Ethyl-1-piperazinyl)-9-phenyl-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine | C21H25N7

2-(4-Ethyl-1-piperazinyl)-9-phenyl-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine

  • Molecular FormulaC21H25N7
  • Average mass375.470 Da
  • Monoisotopic mass375.217133 Da
  • ChemSpider ID27451811

More details:

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

2-(4-Ethyl-1-piperazinyl)-9-phenyl-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepin [German] [ACD/IUPAC Name]
2-(4-Ethyl-1-piperazinyl)-9-phenyl-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine [ACD/IUPAC Name]
2-(4-Éthyl-1-pipérazinyl)-9-phényl-5,6,7,9-tétrahydropyrazolo[3,4-b]pyrimido[4,5-d]azépine [French] [ACD/IUPAC Name]
Pyrazolo[3,4-b]pyrimido[4,5-d]azepine, 2-(4-ethyl-1-piperazinyl)-5,6,7,9-tetrahydro-9-phenyl- [ACD/Index Name]
2-(4-ethylpiperazin-1-yl)-9-phenyl-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.7±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 22.91
ACD/KOC (pH 7.4): 226.51
Polar Surface Area: 62 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

Click to predict properties on the Chemicalize site


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