ChemSpider 2D Image | 3-{(4-Benzyl-1-piperazinyl)[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone | C28H35N7O2

3-{(4-Benzyl-1-piperazinyl)[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone

  • Molecular FormulaC28H35N7O2
  • Average mass501.623 Da
  • Monoisotopic mass501.285217 Da
  • ChemSpider ID2434518

More details:

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

2(1H)-Quinolinone, 3-[[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl][4-(phenylmethyl)-1-piperazinyl]methyl]-7-methoxy- [ACD/Index Name]
3-{(4-Benzyl-1-piperazinyl)[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(4-Benzyl-1-pipérazinyl)[1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]méthyl}-7-méthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(4-Benzyl-1-piperazinyl)[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04189571 [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: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 145.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 30.03
ACD/KOC (pH 5.5): 208.78
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 260.45
ACD/KOC (pH 7.4): 1810.92
Polar Surface Area: 88 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 397.0±7.0 cm3

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