ChemSpider 2D Image | 3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone | C28H35N7O2

3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC28H35N7O2
  • Average mass501.623 Da
  • Monoisotopic mass501.285217 Da
  • ChemSpider ID2402318

More details:

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

2(1H)-Quinolinone, 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl]-6,8-dimethyl- [ACD/Index Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[4-(2,5-Diméthylphényl)-1-pipérazinyl][1-(2-méthoxyéthyl)-1H-tétrazol-5-yl]méthyl}-6,8-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

BAS 04419991 [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: 732.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.8±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 40.88
ACD/KOC (pH 5.5): 220.71
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 579.34
ACD/KOC (pH 7.4): 3127.77
Polar Surface Area: 88 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 390.8±7.0 cm3

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