ChemSpider 2D Image | N-Cyclopentyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-4-(1H-1,2,4-triazol-1-yl)butanamide | C26H39N5O

N-Cyclopentyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-4-(1H-1,2,4-triazol-1-yl)butanamide

  • Molecular FormulaC26H39N5O
  • Average mass437.621 Da
  • Monoisotopic mass437.315460 Da
  • ChemSpider ID22176584

More details:

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

1H-1,2,4-Triazole-1-butanamide, N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidinyl]methyl]- [ACD/Index Name]
N-Cyclopentyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-4-(1H-1,2,4-triazol-1-yl)butanamid [German] [ACD/IUPAC Name]
N-Cyclopentyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-4-(1H-1,2,4-triazol-1-yl)butanamide [ACD/IUPAC Name]
N-Cyclopentyl-N-({1-[2-(2-méthylphényl)éthyl]-4-pipéridinyl}méthyl)-4-(1H-1,2,4-triazol-1-yl)butanamide [French] [ACD/IUPAC 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: 620.5±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.1±32.1 °C
Index of Refraction: 1.615
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.45
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 15.73
ACD/KOC (pH 7.4): 95.36
Polar Surface Area: 54 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 374.9±7.0 cm3

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