ChemSpider 2D Image | 2-{3-[(2R,3S,5R)-5-(2-Fluorophenyl)-3-isopropyltetrahydro-2H-pyran-2-yl]phenoxy}-N-[4-(3-pyridinyloxy)phenyl]acetamide | C33H33FN2O4

2-{3-[(2R,3S,5R)-5-(2-Fluorophenyl)-3-isopropyltetrahydro-2H-pyran-2-yl]phenoxy}-N-[4-(3-pyridinyloxy)phenyl]acetamide

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID68383027

  • 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-[4-(3-pyridinyloxy)phenyl]acetamide [ACD/IUPAC Name]
2-{3-[(2R,3S,5R)-5-(2-Fluorophényl)-3-isopropyltétrahydro-2H-pyran-2-yl]phénoxy}-N-[4-(3-pyridinyloxy)phényl]acétamide [French] [ACD/IUPAC Name]
2-{3-[(2R,3S,5R)-5-(2-Fluorphenyl)-3-isopropyltetrahydro-2H-pyran-2-yl]phenoxy}-N-[4-(3-pyridinyloxy)phenyl]acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[3-[(2R,3S,5R)-5-(2-fluorophenyl)tetrahydro-3-(1-methylethyl)-2H-pyran-2-yl]phenoxy]-N-[4-(3-pyridinyloxy)phenyl]- [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: 705.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.6±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 152.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 44661.21
ACD/KOC (pH 5.5): 72299.63
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48714.61
ACD/KOC (pH 7.4): 78861.48
Polar Surface Area: 70 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 447.5±3.0 cm3

Click to predict properties on the Chemicalize site


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