ChemSpider 2D Image | 2-{3-[(2R,3S,5R)-5-(2-Fluorophenyl)-3-isopropyltetrahydro-2H-pyran-2-yl]phenoxy}-N-(3-methoxyphenyl)acetamide | C29H32FNO4

2-{3-[(2R,3S,5R)-5-(2-Fluorophenyl)-3-isopropyltetrahydro-2H-pyran-2-yl]phenoxy}-N-(3-methoxyphenyl)acetamide

  • Molecular FormulaC29H32FNO4
  • Average mass477.567 Da
  • Monoisotopic mass477.231537 Da
  • ChemSpider ID68415189

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-{3-[(2R,3S,5R)-5-(2-Fluorophenyl)-3-isopropyltetrahydro-2H-pyran-2-yl]phenoxy}-N-(3-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-{3-[(2R,3S,5R)-5-(2-Fluorophényl)-3-isopropyltétrahydro-2H-pyran-2-yl]phénoxy}-N-(3-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
2-{3-[(2R,3S,5R)-5-(2-Fluorphenyl)-3-isopropyltetrahydro-2H-pyran-2-yl]phenoxy}-N-(3-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[3-[(2R,3S,5R)-5-(2-fluorophenyl)tetrahydro-3-(1-methylethyl)-2H-pyran-2-yl]phenoxy]-N-(3-methoxyphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.7±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26461.68
ACD/KOC (pH 5.5): 50967.58
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26461.71
ACD/KOC (pH 7.4): 50967.63
Polar Surface Area: 57 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 407.7±3.0 cm3

Click to predict properties on the Chemicalize site


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