ChemSpider 2D Image | 7-Methoxy-3-([1-(2-phenylethyl)-1H-tetrazol-5-yl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-2(1H)-quinolinone | C31H30F3N7O2

7-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 ID2443702

More details:

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

2(1H)-Quinolinone, 7-methoxy-3-[[1-(2-phenylethyl)-1H-tetrazol-5-yl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]- [ACD/Index Name]
7-Methoxy-3-([1-(2-phenylethyl)-1H-tetrazol-5-yl]{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methyl)-2(1H)-chinolinon [German] [ACD/IUPAC Name]
7-Méthoxy-3-([1-(2-phényléthyl)-1H-tétrazol-5-yl]{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthyl)-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
7-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 04936253 [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: 785.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.7±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: 7.00
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3199.41
ACD/KOC (pH 5.5): 10779.73
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3689.52
ACD/KOC (pH 7.4): 12431.05
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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