ChemSpider 2D Image | 2-Methyl-2-propanyl [(1-{[1-(2-chlorophenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]carbonyl}-4-piperidinyl)methyl]methylcarbamate | C23H32ClN5O3

2-Methyl-2-propanyl [(1-{[1-(2-chlorophenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]carbonyl}-4-piperidinyl)methyl]methylcarbamate

  • Molecular FormulaC23H32ClN5O3
  • Average mass461.985 Da
  • Monoisotopic mass461.219360 Da
  • ChemSpider ID31833853

More details:

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

[(1-{[1-(2-Chlorophényl)-5-éthyl-1H-1,2,4-triazol-3-yl]carbonyl}-4-pipéridinyl)méthyl]méthylcarbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1-{[1-(2-chlorophenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]carbonyl}-4-piperidinyl)methyl]methylcarbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1-{[1-(2-chlorphenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]carbonyl}-4-piperidinyl)methyl]methylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[1-[[1-(2-chlorophenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]carbonyl]-4-piperidinyl]methyl]-N-methyl-, 1,1-dimethylethyl ester [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: 600.8±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.1±32.1 °C
Index of Refraction: 1.597
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 905.90
ACD/KOC (pH 5.5): 4552.76
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 905.92
ACD/KOC (pH 7.4): 4552.86
Polar Surface Area: 81 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 370.2±7.0 cm3

Click to predict properties on the Chemicalize site


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