ChemSpider 2D Image | 2-Methyl-2-propanyl {[1-(2-{[1-(2-chlorobenzyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-piperidinyl]methyl}carbamate | C23H32ClN5O3

2-Methyl-2-propanyl {[1-(2-{[1-(2-chlorobenzyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-piperidinyl]methyl}carbamate

  • Molecular FormulaC23H32ClN5O3
  • Average mass461.985 Da
  • Monoisotopic mass461.219360 Da
  • ChemSpider ID31955195

More details:

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

{[1-(2-{[1-(2-Chlorobenzyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-2-pipéridinyl]méthyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {[1-(2-{[1-(2-chlorobenzyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-piperidinyl]methyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{[1-(2-{[1-(2-chlorbenzyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-piperidinyl]methyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[1-[2-[[1-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]amino]-2-oxoethyl]-2-piperidinyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 664.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 355.9±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 10.96
ACD/KOC (pH 5.5): 69.19
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 276.59
ACD/KOC (pH 7.4): 1746.64
Polar Surface Area: 88 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 365.8±7.0 cm3

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