ChemSpider 2D Image | 3-{[(4-Fluorobenzyl){(1S)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6,7-dimethoxy-2-quinolinol | C30H30F2N6O3

3-{[(4-Fluorobenzyl){(1S)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6,7-dimethoxy-2-quinolinol

  • Molecular FormulaC30H30F2N6O3
  • Average mass560.594 Da
  • Monoisotopic mass560.234741 Da
  • ChemSpider ID62570525

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 3-[[[(4-fluorophenyl)methyl][(1S)-1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethoxy- [ACD/Index Name]
2-Quinolinol, 3-[[[(4-fluorophenyl)methyl][(1S)-1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethoxy- [ACD/Index Name]
3-{[(4-Fluorbenzyl){(1S)-1-[1-(4-fluorbenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6,7-dimethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(4-Fluorbenzyl){(1S)-1-[1-(4-fluorbenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6,7-dimethoxy-2-chinolinol [German] [ACD/IUPAC Name]
3-{[(4-Fluorobenzyl){(1S)-1-[1-(4-fluorobenzyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}-6,7-diméthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(4-Fluorobenzyl){(1S)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6,7-dimethoxy-2(1H)-quinolinone [ACD/IUPAC Name]
3-{[(4-Fluorobenzyl){(1S)-1-[1-(4-fluorobenzyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}-6,7-diméthoxy-2-quinoléinol [French] [ACD/IUPAC Name]
3-{[(4-Fluorobenzyl){(1S)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-6,7-dimethoxy-2-quinolinol [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: 747.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 406.1±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 535.00
ACD/KOC (pH 5.5): 3099.65
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 536.26
ACD/KOC (pH 7.4): 3106.92
Polar Surface Area: 98 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 426.0±7.0 cm3

Click to predict properties on the Chemicalize site


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