ChemSpider 2D Image | 2-[5-(4-Methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(4-phenyl-1-piperazinyl)ethanone | C29H29N7O

2-[5-(4-Methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(4-phenyl-1-piperazinyl)ethanone

  • Molecular FormulaC29H29N7O
  • Average mass491.587 Da
  • Monoisotopic mass491.243347 Da
  • ChemSpider ID29020400

More details:

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

2-[5-(4-Methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(4-phenyl-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
2-[5-(4-Methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(4-phenyl-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-[5-(4-Méthylphényl)-7-phényltétrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(4-phényl-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(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: 738.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±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): 715.88
ACD/KOC (pH 5.5): 3842.81
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 718.45
ACD/KOC (pH 7.4): 3856.60
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

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