ChemSpider 2D Image | [4-(Diphenylmethyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanone | C26H32N6O

[4-(Diphenylmethyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanone

  • Molecular FormulaC26H32N6O
  • Average mass444.572 Da
  • Monoisotopic mass444.263763 Da
  • ChemSpider ID25364241

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-(Diphenylmethyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanon [German] [ACD/IUPAC Name]
[4-(Diphenylmethyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanone [ACD/IUPAC Name]
[4-(Diphénylméthyl)-1-pipérazinyl][trans-4-(1H-tétrazol-1-ylméthyl)cyclohexyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(diphenylmethyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]- [ACD/Index Name]
(4-Benzhydryl-piperazin-1-yl)-(4-tetrazol-1-ylmethyl-cyclohexyl)-methanone
1217750-84-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 131.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 108.97
ACD/KOC (pH 5.5): 879.84
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.63
ACD/KOC (pH 7.4): 1369.67
Polar Surface Area: 67 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 352.0±7.0 cm3

Click to predict properties on the Chemicalize site


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