ChemSpider 2D Image | 6-Methoxy-3-([1-(2-phenylethyl)-1H-tetrazol-5-yl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-2(1H)-quinolinone | C31H30F3N7O2

6-Methoxy-3-([1-(2-phenylethyl)-1H-tetrazol-5-yl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-2(1H)-quinolinone

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID2446929

More details:

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

2(1H)-Quinolinone, 6-methoxy-3-[[1-(2-phenylethyl)-1H-tetrazol-5-yl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]- [ACD/Index Name]
6-Methoxy-3-([1-(2-phenylethyl)-1H-tetrazol-5-yl]{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methyl)-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-Méthoxy-3-([1-(2-phényléthyl)-1H-tétrazol-5-yl]{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthyl)-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-Methoxy-3-([1-(2-phenylethyl)-1H-tetrazol-5-yl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05213951 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 794.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.1±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2664.59
ACD/KOC (pH 5.5): 9450.92
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3078.87
ACD/KOC (pH 7.4): 10920.29
Polar Surface Area: 88 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 427.7±7.0 cm3

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