ChemSpider 2D Image | (2R)-[4-(8-Fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinyl][(2-methyl-2-propanyl)oxy]acetic acid | C26H28FNO5

(2R)-[4-(8-Fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinyl][(2-methyl-2-propanyl)oxy]acetic acid

  • Molecular FormulaC26H28FNO5
  • Average mass453.503 Da
  • Monoisotopic mass453.195160 Da
  • ChemSpider ID34529722

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-[4-(8-Fluor-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydro-3-isochinolinyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
(2R)-[4-(8-Fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydro-3-isoquinolinyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
3-Isoquinolineacetic acid, α-(1,1-dimethylethoxy)-4-(8-fluoro-3,4-dihydro-5-methyl-2H-1-benzopyran-6-yl)-1,2-dihydro-2-methyl-1-oxo-, (αR)- [ACD/Index Name]
Acide (2R)-[4-(8-fluoro-5-méthyl-3,4-dihydro-2H-chromén-6-yl)-2-méthyl-1-oxo-1,2-dihydro-3-isoquinoléinyl][(2-méthyl-2-propanyl)oxy]acétique [French] [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: 634.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.7±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 80.76
ACD/KOC (pH 5.5): 228.03
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 6.32
Polar Surface Area: 76 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 358.3±3.0 cm3

Click to predict properties on the Chemicalize site


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