ChemSpider 2D Image | 2-{6-[(4-Fluoro-2-methylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(1-piperidinyl)ethyl]propanamide | C27H32FN3O5

2-{6-[(4-Fluoro-2-methylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(1-piperidinyl)ethyl]propanamide

  • Molecular FormulaC27H32FN3O5
  • Average mass497.559 Da
  • Monoisotopic mass497.232605 Da
  • ChemSpider ID22653086

More details:

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

2-{6-[(4-Fluor-2-methylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(1-piperidinyl)ethyl]propanamid [German] [ACD/IUPAC Name]
2-{6-[(4-Fluoro-2-methylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(1-piperidinyl)ethyl]propanamide [ACD/IUPAC Name]
2-{6-[2-(4-Fluoro-2-méthylphénoxy)acétyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(1-pipéridinyl)éthyl]propanamide [French] [ACD/IUPAC Name]
4H-1,4-Benzoxazine-4-acetamide, 6-[2-(4-fluoro-2-methylphenoxy)acetyl]-2,3-dihydro-α-methyl-3-oxo-N-[2-(1-piperidinyl)ethyl]- [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: 774.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 421.9±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 31.21
Polar Surface Area: 88 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 399.9±3.0 cm3

Click to predict properties on the Chemicalize site


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