ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{4-[4-(allyloxy)benzyl]-1-piperazinyl}-1-oxo-6-[(3-pyridinylcarbonyl)amino]-2-hexanyl)carbamate | C31H43N5O5

2-Methyl-2-propanyl (1-{4-[4-(allyloxy)benzyl]-1-piperazinyl}-1-oxo-6-[(3-pyridinylcarbonyl)amino]-2-hexanyl)carbamate

  • Molecular FormulaC31H43N5O5
  • Average mass565.704 Da
  • Monoisotopic mass565.326416 Da
  • ChemSpider ID5165730

More details:

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

(1-{4-[4-(Allyloxy)benzyl]-1-pipérazinyl}-1-oxo-6-[(3-pyridinylcarbonyl)amino]-2-hexanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{4-[4-(allyloxy)benzyl]-1-piperazinyl}-1-oxo-6-[(3-pyridinylcarbonyl)amino]-2-hexanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{4-[4-(allyloxy)benzyl]-1-piperazinyl}-1-oxo-6-[(3-pyridinylcarbonyl)amino]-2-hexanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[4-[[4-(2-propen-1-yloxy)phenyl]methyl]-1-piperazinyl]carbonyl]-5-[(3-pyridinylcarbonyl)amino]pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Cerep_001179 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 782.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.8±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 157.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 39.62
ACD/KOC (pH 5.5): 341.86
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.32
ACD/KOC (pH 7.4): 1133.03
Polar Surface Area: 113 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 489.5±3.0 cm3

Click to predict properties on the Chemicalize site


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