ChemSpider 2D Image | N-({1-[2-(2-Methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-4-(1H-1,2,4-triazol-1-yl)butanamide | C22H33N5O2

N-({1-[2-(2-Methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-4-(1H-1,2,4-triazol-1-yl)butanamide

  • Molecular FormulaC22H33N5O2
  • Average mass399.530 Da
  • Monoisotopic mass399.263428 Da
  • ChemSpider ID22127856

More details:

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

1H-1,2,4-Triazole-1-butanamide, N-[[1-[2-(2-methoxyphenyl)ethyl]-3-piperidinyl]methyl]-N-methyl- [ACD/Index Name]
N-({1-[2-(2-Methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-4-(1H-1,2,4-triazol-1-yl)butanamid [German] [ACD/IUPAC Name]
N-({1-[2-(2-Methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-4-(1H-1,2,4-triazol-1-yl)butanamide [ACD/IUPAC Name]
N-({1-[2-(2-Méthoxyphényl)éthyl]-3-pipéridinyl}méthyl)-N-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: 572.3±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.9±32.3 °C
Index of Refraction: 1.589
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.07
Polar Surface Area: 63 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 344.9±7.0 cm3

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