ChemSpider 2D Image | 3-{(S)-[4-(2-Fluorophenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethoxy-2-quinolinol | C27H32FN7O3

3-{(S)-[4-(2-Fluorophenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethoxy-2-quinolinol

  • Molecular FormulaC27H32FN7O3
  • Average mass521.586 Da
  • Monoisotopic mass521.255066 Da
  • ChemSpider ID62448460

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 3-[(S)-[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl][4-(2-fluorophenyl)-1-piperazinyl]methyl]-6,7-dimethoxy- [ACD/Index Name]
2-Quinolinol, 3-[(S)-[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl][4-(2-fluorophenyl)-1-piperazinyl]methyl]-6,7-dimethoxy- [ACD/Index Name]
3-{(S)-[4-(2-Fluorophényl)-1-pipérazinyl][1-(2-méthyl-2-propanyl)-1H-tétrazol-5-yl]méthyl}-6,7-diméthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(S)-[4-(2-Fluorophenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethoxy-2(1H)-quinolinone [ACD/IUPAC Name]
3-{(S)-[4-(2-Fluorophényl)-1-pipérazinyl][1-(2-méthyl-2-propanyl)-1H-tétrazol-5-yl]méthyl}-6,7-diméthoxy-2-quinoléinol [French] [ACD/IUPAC Name]
3-{(S)-[4-(2-Fluorophenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethoxy-2-quinolinol [ACD/IUPAC Name]
3-{(S)-[4-(2-Fluorphenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(S)-[4-(2-Fluorphenyl)-1-piperazinyl][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethoxy-2-chinolinol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 78.77
ACD/KOC (pH 5.5): 594.34
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 206.82
ACD/KOC (pH 7.4): 1560.53
Polar Surface Area: 102 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 389.4±7.0 cm3

Click to predict properties on the Chemicalize site


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