ChemSpider 2D Image | 3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6-methoxy-2(1H)-quinolinone | C28H35N7O2

3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6-methoxy-2(1H)-quinolinone

  • Molecular FormulaC28H35N7O2
  • Average mass501.623 Da
  • Monoisotopic mass501.285217 Da
  • ChemSpider ID2402439

More details:

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

2(1H)-Quinolinone, 3-[[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl][4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-6-methoxy- [ACD/Index Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6-methoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[4-(2,5-Diméthylphényl)-1-pipérazinyl][1-(2-méthyl-2-propanyl)-1H-tétrazol-5-yl]méthyl}-6-méthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6-methoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

BAS 04421910 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.3±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 46.05
ACD/KOC (pH 5.5): 237.79
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 671.99
ACD/KOC (pH 7.4): 3470.04
Polar Surface Area: 88 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 395.3±7.0 cm3

Click to predict properties on the Chemicalize site


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