ChemSpider 2D Image | 2-{[3-(2-Fluoro-5-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy}-5-[1-(3,4,5-trimethoxyphenyl)-1H-tetrazol-5-yl]aniline | C27H27FN6O6

2-{[3-(2-Fluoro-5-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy}-5-[1-(3,4,5-trimethoxyphenyl)-1H-tetrazol-5-yl]aniline

  • Molecular FormulaC27H27FN6O6
  • Average mass550.538 Da
  • Monoisotopic mass550.197632 Da
  • ChemSpider ID34224055

More details:

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

2-{[3-(2-Fluor-5-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy}-5-[1-(3,4,5-trimethoxyphenyl)-1H-tetrazol-5-yl]anilin [German] [ACD/IUPAC Name]
2-{[3-(2-Fluoro-5-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy}-5-[1-(3,4,5-trimethoxyphenyl)-1H-tetrazol-5-yl]aniline [ACD/IUPAC Name]
2-{[3-(2-Fluoro-5-méthoxyphényl)-4,5-dihydro-1,2-oxazol-5-yl]méthoxy}-5-[1-(3,4,5-triméthoxyphényl)-1H-tétrazol-5-yl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 2-[[3-(2-fluoro-5-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methoxy]-5-[1-(3,4,5-trimethoxyphenyl)-1H-tetrazol-5-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 747.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 405.9±35.7 °C
Index of Refraction: 1.639
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.52
ACD/KOC (pH 5.5): 874.24
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.97
ACD/KOC (pH 7.4): 878.56
Polar Surface Area: 137 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

Click to predict properties on the Chemicalize site


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