ChemSpider 2D Image | 2-(5,7-Diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone | C29H29N7O

2-(5,7-Diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone

  • Molecular FormulaC29H29N7O
  • Average mass491.587 Da
  • Monoisotopic mass491.243347 Da
  • ChemSpider ID29020379

More details:

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

2-(5,7-Diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)-1-[4-(3-methylphenyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-(5,7-Diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-(5,7-Diphényltétrazolo[1,5-a]pyrimidin-4(7H)-yl)-1-[4-(3-méthylphényl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(5,7-diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)-1-[4-(3-methylphenyl)-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: 750.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.5±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 714.69
ACD/KOC (pH 5.5): 3836.43
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 718.43
ACD/KOC (pH 7.4): 3856.51
Polar Surface Area: 70 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 381.4±7.0 cm3

Click to predict properties on the Chemicalize site


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