ChemSpider 2D Image | 2-[1-Benzyl-4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-4-piperidinyl]-N-{[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl](4-methoxyphenyl)methyl}acetamide | C32H37N5O6

2-[1-Benzyl-4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-4-piperidinyl]-N-{[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl](4-methoxyphenyl)methyl}acetamide

  • Molecular FormulaC32H37N5O6
  • Average mass587.666 Da
  • Monoisotopic mass587.274414 Da
  • ChemSpider ID81132256

More details:

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

2-[1-Benzyl-4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-4-piperidinyl]-N-{[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl](4-methoxyphenyl)methyl}acetamid [German] [ACD/IUPAC Name]
2-[1-Benzyl-4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-4-piperidinyl]-N-{[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl](4-methoxyphenyl)methyl}acetamide [ACD/IUPAC Name]
2-[1-Benzyl-4-(3-hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)-4-pipéridinyl]-N-{[5-(méthoxyméthyl)-4H-1,2,4-triazol-3-yl](4-méthoxyphényl)méthyl}acétamide [French] [ACD/IUPAC Name]
4-Piperidineacetamide, 4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-[[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl](4-methoxyphenyl)methyl]-1-(phenylmethyl)- [ACD/Index 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: 849.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.3±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 159.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 3.43
ACD/KOC (pH 7.4): 42.37
Polar Surface Area: 139 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 451.9±3.0 cm3

Click to predict properties on the Chemicalize site


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