ChemSpider 2D Image | (2s)-Tert-Butoxy[4-(8-Fluoro-5-Methyl-3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid | C26H28FNO4

(2s)-Tert-Butoxy[4-(8-Fluoro-5-Methyl-3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid

  • Molecular FormulaC26H28FNO4
  • Average mass437.503 Da
  • Monoisotopic mass437.200226 Da
  • ChemSpider ID28665379
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-[4-(8-Fluor-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-3-chinolinyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
(2S)-[4-(8-Fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
(2s)-Tert-Butoxy[4-(8-Fluoro-5-Methyl-3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
3-Quinolineacetic acid, α-(1,1-dimethylethoxy)-4-(8-fluoro-3,4-dihydro-5-methyl-2H-1-benzopyran-6-yl)-2-methyl-, (αS)- [ACD/Index Name]
Acide (2S)-[4-(8-fluoro-5-méthyl-3,4-dihydro-2H-chromén-6-yl)-2-méthyl-3-quinoléinyl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]
TQX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 585.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.7±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 41.78
ACD/KOC (pH 5.5): 87.41
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 9.48
Polar Surface Area: 69 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 357.3±3.0 cm3

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